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Ac6 U2
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A3B_hP8_194_h_c:Ac-U
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Ac6 U2
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wbm-1-1
wbm-1-1
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8
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Ac1 Th3
4
137.42
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AB3_tI8_139_a_bd:Ac-Th
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AB3_tI8_139_a_bd:Ac-Th
true
Ac1 Th3
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wbm-1-2
wbm-1-2
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4
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Ac1 U3
4
100.81
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AB3_tI8_139_a_bd:Ac-U
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AB3_tI8_139_a_bd:Ac-U
true
Ac1 U3
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wbm-1-3
wbm-1-3
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4
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Ag2 Au1 Hg1
4
76.26
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0.03
0.063
0
A2BC_cF16_225_c_a_b:Ag-Au-Hg
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0
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A2BC_cF16_225_c_a_b:Ag-Au-Hg
true
Ag2 Au1 Hg1
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wbm-1-4
wbm-1-4
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4
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Ag2 Ba1 La1
4
124.15
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0.1
0
A2BC_cF16_225_c_a_b:Ag-Ba-La
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0
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0.092193
0.050158
A2BC_cF16_225_c_a_b:Ag-Ba-La
true
Ag2 Ba1 La1
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wbm-1-5
wbm-1-5
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4
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Ag2 Ba1 Pb2
5
148.96
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A2BC2_tI10_139_d_a_e:Ag-Ba-Pb
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A2BC2_mC10_12_h_a_i:Ag-Ba-Pb
true
Ag2 Ba1 Pb2
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wbm-1-6
wbm-1-6
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5
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Ag2 Ba1
3
92.3
-8.469
-0.296
-0.07
0
A2B_hP3_191_c_b:Ag-Ba
-8.469072
0
0
-0.294957
-0.294957
0.000119
0.09493
A2B_hP3_191_c_b:Ag-Ba
false
Ag2 Ba1
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wbm-1-7
wbm-1-7
[ [ 0, 0, 0 ], [ 0.5, 0.33333333330000003, 0.6666666667000001 ], [ 0.5, 0.6666666667000001, 0.33333333330000003 ] ]
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3
[ 56, 47, 47 ]
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Ag4 Ba2
6
184.4
-16.952
-0.298
-0.072
0
A2B_oI12_74_h_e:Ag-Ba
-16.952036
0
0
-0.297273
-0.297273
-0.002196
1.812167
A2B_hP3_191_c_b:Ag-Ba
false
Ag4 Ba2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.87089639, "alpha": 77.29265643, "b": 6.2208706, "beta": 66.95236009999999, "c": 6.22087067, "gamma": 66.95236284, "matrix": [ [ 4.4820997493, 0, 1.9069382474 ], [ 2.0645092578, 5.7065295506, 1.3684125967 ], [ 0, 0, 6.22087067 ] ], "volume": 159.112668966 }, "sites": [ { "abc": [ 0.9562269999999999, 0.293773, 0.793773 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 4.8924018752, 1.6764243057, 7.1634276876 ] }, { "abc": [ 0.043773, 0.7062269999999999, 0.206227 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 1.6542071319, 4.0301052449, 2.3327938265 ] }, { "abc": [ 0.663519, 0.88951, 0.783451 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.8103599735, 5.0760151005, 7.3562537952 ] }, { "abc": [ 0.336481, 0.11049, 0.216549 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.7362490336, 0.6305144500000001, 2.1399677189 ] }, { "abc": [ 0.336481, 0.716549, 0.6104900000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.9874634499, 4.0890080429, 5.4199625015 ] }, { "abc": [ 0.663519, 0.283451, 0.38951 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.5591455572, 1.6175215076, 4.0762590126 ] } ] }
wbm-1-8
wbm-1-8
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6
[ 56, 56, 47, 47, 47, 47 ]
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Ac1 Ag2 Bi1
4
109.2
-14.921
-0.309
-0.143
0
AB2C_cF16_225_a_c_b:Ac-Ag-Bi
-14.921076
0
0
-0.323544
-0.323544
-0.159192
0.019036
AB2C_cF16_225_a_c_b:Ac-Ag-Bi
true
Ac1 Ag2 Bi1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.33255791, "alpha": 60, "b": 5.33255791, "beta": 60, "c": 5.33255791, "gamma": 60, "matrix": [ [ 4.6181306172, 0, 2.666278955 ], [ 1.5393768724, 4.3540153011000005, 2.666278955 ], [ 0, 0, 5.33255791 ] ], "volume": 107.2239355501 }, "sites": [ { "abc": [ 0.249997, 0.250001, 0.250001 ], "label": "Ac", "species": [ { "element": "Ac", "occu": 1 } ], "xyz": [ 1.5393645573999999, 1.0885081793, 2.666278955 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0787660598, 2.1770032965, 5.33255791 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 4.6181306172, 3.2655114758, 7.998836865 ] } ] }
wbm-1-9
wbm-1-9
[ [ 0.249997, 0.250001, 0.250001 ], [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 89, 47, 47, 83 ]
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Ag4 Bi2
6
133.12
-18.875
0.039
0.039
0
A2B_cF24_227_c_b:Ag-Bi
-18.874848
0
0
0.022759
0.022759
0.022726
0.00353
A2B_cF24_227_c_b:Ag-Bi
true
Ag4 Bi2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.7261068999999996, "alpha": 59.99999715, "b": 5.7261068999999996, "beta": 59.99999715, "c": 5.72610637, "gamma": 60.00000046, "matrix": [ [ 4.9589538978, 0, 2.8630536966999998 ], [ 1.6529843967, 4.675346655, 2.8630536966999998 ], [ 0, 0, 5.72610637 ] ], "volume": 132.7587942656 }, "sites": [ { "abc": [ 0, 0.5, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.8264921984, 2.3376733275, 1.4315268483 ] }, { "abc": [ 0, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.8264921984, 2.3376733275, 4.2945800333 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.3059691473, 2.3376733275, 5.7261068817 ] }, { "abc": [ 0, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 2.863053185 ] }, { "abc": [ 0.375, 0.875, 0.875 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 3.3059690588, 4.0909283231, 8.5891601946 ] }, { "abc": [ 0.625, 0.125, 0.125 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 3.3059692357, 0.5844183319, 2.8630535688 ] } ] }
wbm-1-10
wbm-1-10
[ [ 0, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0.375, 0.875, 0.875 ], [ 0.625, 0.125, 0.125 ] ]
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6
[ 47, 47, 47, 47, 83, 83 ]
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Ag2 Cd1 Hf1
4
76.36
-16.609
-0.021
0.071
0
A2BC_cF16_225_c_a_b:Ag-Cd-Hf
-16.608918
0
0
-0.015905
-0.015905
0.073409
0.000014
A2BC_cF16_225_c_a_b:Ag-Cd-Hf
true
Ag2 Cd1 Hf1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.80234501, "alpha": 60, "b": 4.80234501, "beta": 60, "c": 4.80234501, "gamma": 60, "matrix": [ [ 4.1589527764, 0, 2.401172505 ], [ 1.3863175921, 3.9210982811, 2.401172505 ], [ 0, 0, 4.80234501 ] ], "volume": 78.3150220288 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 4.1589527764, 2.9408237108, 7.203517515 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.3863286827, 0.9802706492000001, 2.401172505 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.7726462748, 1.9605452195000002, 4.80234501 ] } ] }
wbm-1-11
wbm-1-11
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ] ]
[ [ 4.158952776374999, 2.9408237108249997, 7.203517515 ], [ 1.386328682665737, 0.9802706491767189, 2.401172505 ], [ 0, 0, 0 ], [ 2.7726462747907368, 1.9605452194517188, 4.80234501 ] ]
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4
[ 72, 48, 47, 47 ]
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Ag2 Cd1 I4
7
277.17
-15.642
-0.428
-0.001
1.74
A2BC4_tP7_111_e_b_n:Ag-Cd-I
-15.642207
-0.216571
0
-0.451501
-0.668072
0.001914
0.044514
A2BC4_tP7_111_e_b_n:Ag-Cd-I
true
Ag2 Cd1 I4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 6.50007177, "alpha": 90, "b": 6.5663899, "beta": 90, "c": 6.5663899, "gamma": 90, "matrix": [ [ 6.50007177, 0, 3.980146044e-16 ], [ 0, 6.5663899, 4.0207541859999993e-16 ], [ 0, 0, 6.5663899 ] ], "volume": 280.2666906136 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.250035885, 0, 3.28319495 ] }, { "abc": [ 0.5, 0.5, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.250035885, 3.28319495, 4.0004501149999995e-16 ] }, { "abc": [ 0.240397, 0.7393649999999999, 0.7393649999999999 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 1.5625977533, 4.8549588684, 4.8549588684 ] }, { "abc": [ 0.7596029999999999, 0.260635, 0.7393649999999999 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 4.9374740167, 1.7114310316, 4.8549588684 ] }, { "abc": [ 0.240397, 0.260635, 0.260635 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 1.5625977533, 1.7114310316, 1.7114310316 ] }, { "abc": [ 0.7596029999999999, 0.7393649999999999, 0.260635 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 4.9374740167, 4.8549588684, 1.7114310316 ] } ] }
wbm-1-12
wbm-1-12
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.240397, 0.7393649999999999, 0.7393649999999999 ], [ 0.7596029999999999, 0.260635, 0.7393649999999999 ], [ 0.240397, 0.260635, 0.260635 ], [ 0.7596029999999999, 0.7393649999999999, 0.260635 ] ]
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7
[ 48, 47, 47, 53, 53, 53, 53 ]
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Ag2 Cd1 I4
7
275.68
-15.648
-0.428
-0.002
1.79
A2BC4_tI14_82_ac_b_g:Ag-Cd-I
-15.647672
-0.216571
0
-0.452282
-0.668853
0.001133
0.02234
A2BC4_tI14_82_ac_b_g:Ag-Cd-I
true
Ag2 Cd1 I4
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wbm-1-13
wbm-1-13
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7
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Ag2 Cd1 In1
4
80.09
-9.353
-0.007
0.04
0
A2BC_cF16_225_c_a_b:Ag-Cd-In
-9.353391
0
0
-0.003398
-0.003398
0.041204
0.023633
A2BC_cF16_225_c_a_b:Ag-Cd-In
true
Ag2 Cd1 In1
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wbm-1-14
wbm-1-14
[ [ 0.750003, 0.749999, 0.749999 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
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4
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Ag2 Cd1 Nd1
4
91.16
-12.485
-0.287
-0.005
0
A2BC_cF16_225_c_a_b:Ag-Cd-Nd
-12.485249
0
0
-0.282262
-0.282262
0.00019
0.178367
A2BC_cF16_225_c_a_b:Ag-Cd-Nd
false
Ag2 Cd1 Nd1
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wbm-1-15
wbm-1-15
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4
[ 60, 48, 47, 47 ]
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Ag2 Cd1 Pt1
4
71.17
-12.859
-0.058
0.104
0
A2BC_cF16_225_c_a_b:Ag-Cd-Pt
-12.859095
0
0
-0.049974
-0.049974
0.103076
0.022805
A2BC_cF16_225_c_a_b:Ag-Cd-Pt
true
Ag2 Cd1 Pt1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.73505497, "alpha": 60, "b": 4.73505497, "beta": 60, "c": 4.73505497, "gamma": 60, "matrix": [ [ 4.1006778923, 0, 2.367527485 ], [ 1.3668926308, 3.8661561935, 2.367527485 ], [ 0, 0, 4.73505497 ] ], "volume": 75.0689044157 }, "sites": [ { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.1006669572, 2.8996210113, 7.102582455 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.7337961967, 1.9330742306, 4.73505497 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 1.3668926308, 0.9665390484, 2.367527485 ] } ] }
wbm-1-16
wbm-1-16
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4
[ 48, 47, 47, 78 ]
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Ag2 Cd1 U1
4
88.22
-16.69
0.294
0.338
0
A2BC_cF16_225_c_a_b:Ag-Cd-U
-16.690286
0
0
0.297303
0.297303
0.338859
0.241958
A2BC_cF16_225_c_a_b:Ag-Cd-U
true
Ag2 Cd1 U1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.27593615, "alpha": 60, "b": 5.27593615, "beta": 60, "c": 5.27593615, "gamma": 60, "matrix": [ [ 4.5690947346, 0, 2.637968075 ], [ 1.5230315782, 4.3077838277, 2.637968075 ], [ 0, 0, 5.27593615 ] ], "volume": 103.8445228701 }, "sites": [ { "abc": [ 0.25, 0.25, 0.25 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 1.5230315782, 1.0769459569, 2.637968075 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.5690825504, 3.2308421785, 7.913904225 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0460509722, 2.1538962216, 5.27593615 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-17
wbm-1-17
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4
[ 92, 48, 47, 47 ]
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Ag2 Ce1 Hg1
4
90.77
-12.545
-0.162
0.045
0
A2BC_cF16_225_c_a_b:Ag-Ce-Hg
-12.545176
0
0
-0.160794
-0.160794
0.050615
0.018577
A2BC_cF16_225_c_a_b:Ag-Ce-Hg
true
Ag2 Ce1 Hg1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.05220995, "alpha": 90.00023687, "b": 5.05218877, "beta": 120.00006396, "c": 5.05222434, "gamma": 119.99972068, "matrix": [ [ 4.375339342, 0, -2.5261098592 ], [ -2.9168718555, 4.1251024164, -0.0000208866 ], [ 0, 0, 5.05222434 ] ], "volume": 91.1861971037 }, "sites": [ { "abc": [ 0.49999899999999997, 0.250001, 0.7500009999999999 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 1.4584444149, 1.0312797292, 2.526115682 ] }, { "abc": [ 0.999999, 0.5, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.916899039, 2.0625512082, -0.0000106586 ] }, { "abc": [ 0, 0.000001, 0.999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000029169, 0.0000041251000000000005, 5.0522192878 ] }, { "abc": [ 0.49999899999999997, 0.75, 0.249999 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0.0000114041, 3.0938268123, -0.0000170357 ] } ] }
wbm-1-18
wbm-1-18
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4
[ 58, 47, 47, 80 ]
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Ag2 Ce1
3
69.39
-11.884
-0.097
-0.023
0
A2B_tI6_139_e_a:Ag-Ce
-11.883644
0
0
-0.095115
-0.095115
0.08988
1.049028
A2B_tI6_139_e_a:Ag-Ce
true
Ag2 Ce1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-19
wbm-1-19
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3
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Ag4 Ce2
6
135.15
-24.263
-0.18
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0
A2B_oI12_74_h_e:Ag-Ce
-24.262806
0
0
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0.007294
1.480393
A2B_hP3_191_c_b:Ag-Ce
false
Ag4 Ce2
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wbm-1-20
wbm-1-20
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6
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Ac1 Ag2 Cs1
4
136.67
-9.986
0.174
0.34
0
AB2C_cF16_225_a_c_b:Ac-Ag-Cs
-9.985722
0
0
0.17402
0.17402
0.338375
0.066773
AB2C_cF16_225_a_c_b:Ac-Ag-Cs
true
Ac1 Ag2 Cs1
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wbm-1-21
wbm-1-21
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4
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Ag2 Cs1 La1
4
128.96
-10.568
0.228
0.457
0
A2BC_cF16_225_c_a_b:Ag-Cs-La
-10.567986
0
0
0.232153
0.232153
0.457696
0.159481
A2BC_cF16_225_c_a_b:Ag-Cs-La
true
Ag2 Cs1 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.17540641, "alpha": 120.00008559, "b": 5.17542615, "beta": 89.99985085, "c": 5.1753992, "gamma": 119.99978487, "matrix": [ [ 5.17540641, 0, 0.0000134724 ], [ -2.5876895099, 3.6595908548000002, -2.5877197704 ], [ 0, 0, 5.1753992 ] ], "volume": 98.0213878794 }, "sites": [ { "abc": [ 0.250001, 0.5, 0.749999 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 0.000012023, 1.8297954274000001, 2.5876877074999998 ] }, { "abc": [ 0.7499969999999999, 0.500001, 0.250003 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 2.5876919386, 1.829799087, 0.000012957500000000001 ] }, { "abc": [ 0.000001, 0, 0.999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.0000051754000000000005, 0, 5.1753940246 ] }, { "abc": [ 0.5, 0, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.587703205, 0, 2.5877011608 ] } ] }
wbm-1-22
wbm-1-22
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4
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Ag8 Cs4
12
353.72
-24.55
0.138
0.138
0
A2B_hP12_194_ah_f:Ag-Cs
-24.550459
0
0
0.140995
0.140995
0.140967
0.127491
A2B_hP12_194_ah_f:Ag-Cs
true
Ag8 Cs4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.91216029, "alpha": 90, "b": 5.91216029, "beta": 90, "c": 10.06626001, "gamma": 120.0000001, "matrix": [ [ 5.91216029, 0, 3.620154088e-16 ], [ -2.9560801539, 5.1200809972, 3.620154088e-16 ], [ 0, 0, 10.06626001 ] ], "volume": 304.7131350394 }, "sites": [ { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.9386439999999999 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 2.9560801420000002, 1.7066936657, 9.4486345608 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.438644 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ -6.000000000000001e-9, 3.4133873315, 4.4155045558 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.061355999999999994 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ -6.000000000000001e-9, 3.4133873315, 0.6176254492000001 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.561356 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 2.9560801420000002, 1.7066936657, 5.6507554542000005 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 5.033130005 ] }, { "abc": [ 0.16511699999999999, 0.8348829999999999, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1.4917828966, 4.2746685832, 7.5496950075 ] }, { "abc": [ 0.8348829999999999, 0.669766, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.956080139, 3.4292561692, 2.5165650025 ] }, { "abc": [ 0.33023399999999997, 0.16511699999999999, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4642972544, 0.845412414, 2.5165650025 ] }, { "abc": [ 0.669766, 0.8348829999999999, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4917828816, 4.2746685832, 7.5496950075 ] }, { "abc": [ 0.16511699999999999, 0.33023399999999997, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -3.0000000000000004e-9, 1.690824828, 7.5496950075 ] }, { "abc": [ 0.8348829999999999, 0.16511699999999999, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.4478630326, 0.845412414, 2.5165650025 ] } ] }
wbm-1-23
wbm-1-23
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12
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Ag2 Dy1 Tl1
4
88.07
-13.576
-0.236
0.013
0
A2BC_cF16_225_c_a_b:Ag-Dy-Tl
-13.575639
0
0
-0.23526
-0.23526
0.021604
0.010969
A2BC_cF16_225_c_a_b:Ag-Dy-Tl
true
Ag2 Dy1 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.01212832, "alpha": 60, "b": 5.01212832, "beta": 60, "c": 5.01212832, "gamma": 60, "matrix": [ [ 4.3406304521, 0, 2.50606416 ], [ 1.4468768174, 4.0923856365, 2.50606416 ], [ 0, 0, 5.01212832 ] ], "volume": 89.0331103988 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 4.3406304521, 3.0692892273, 7.51819248 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 1.4468883924, 1.0230923167, 2.50606416 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.8937420598, 2.0461969106, 5.01212832 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-24
wbm-1-24
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
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4
[ 66, 81, 47, 47 ]
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Ag4 Dy2
6
133.31
-22.194
-0.278
0.002
0
A2B_oI12_74_h_e:Ag-Dy
-22.194364
0
0
-0.275061
-0.275061
0.054
0.394064
A2B_oI12_74_h_e:Ag-Dy
true
Ag4 Dy2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89738311, "alpha": 75.25979672, "b": 6.06200655, "beta": 66.17523302, "c": 6.06200655, "gamma": 66.17523302, "matrix": [ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ], "volume": 149.7051128394 }, "sites": [ { "abc": [ 0.460493, 0.789507, 0.289507 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 3.6386679362, 4.3520415649, 3.883697515 ] }, { "abc": [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 2.8371051686, 1.160311796, 5.6989580101 ] }, { "abc": [ 0.834514, 0.212807, 0.11816499999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1633703517, 1.1730673817, 2.6954292863 ] }, { "abc": [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3124027530999998, 4.3392859792, 6.8872262389 ] }, { "abc": [ 0.834514, 0.618165, 0.712807 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.9723513353, 3.4075439153, 6.9253756646 ] }, { "abc": [ 0.165486, 0.381835, 0.287193 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5034217694, 2.1048094455, 2.6572798605 ] } ] }
wbm-1-25
wbm-1-25
[ [ 0.460493, 0.789507, 0.289507 ], [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], [ 0.834514, 0.212807, 0.11816499999999999 ], [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], [ 0.834514, 0.618165, 0.712807 ], [ 0.165486, 0.381835, 0.287193 ] ]
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[ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ]
6
[ 66, 66, 47, 47, 47, 47 ]
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Ag2 Er1 Tl1
4
86.92
-13.474
-0.22
0.032
0
A2BC_cF16_225_c_a_b:Ag-Er-Tl
-13.47355
0
0
-0.219513
-0.219513
0.03011
0.024674
A2BC_cF16_225_c_a_b:Ag-Er-Tl
true
Ag2 Er1 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.01212832, "alpha": 60, "b": 5.01212832, "beta": 60, "c": 5.01212832, "gamma": 60, "matrix": [ [ 4.3406304521, 0, 2.50606416 ], [ 1.4468768174, 4.0923856365, 2.50606416 ], [ 0, 0, 5.01212832 ] ], "volume": 89.0331103988 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 4.3406304521, 3.0692892273, 7.51819248 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 1.4468883924, 1.0230923167, 2.50606416 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.8937420598, 2.0461969106, 5.01212832 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-26
wbm-1-26
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
[ [ 4.340630452125, 3.069289227375, 7.518192480000001 ], [ 1.4468883923895386, 1.0230923167393635, 2.50606416 ], [ 2.893742059735461, 2.046196910635637, 5.01212832 ], [ 0, 0, 0 ] ]
[ [ 4.340630452125, 3.069289227375, 7.518192480000001 ], [ 1.4468883923895386, 1.0230923167393635, 2.50606416 ], [ 2.893742059735461, 2.046196910635637, 5.01212832 ], [ 0, 0, 0 ] ]
[ [ 4.3406304521, 0, 2.50606416 ], [ 1.4468768174, 4.0923856365, 2.50606416 ], [ 0, 0, 5.01212832 ] ]
4
[ 68, 81, 47, 47 ]
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Ag4 Er2
6
131.35
-22.064
-0.269
0.012
0
A2B_oI12_74_h_e:Ag-Er
-22.063955
0
0
-0.266359
-0.266359
0.066456
0.349658
A2B_oI12_74_h_e:Ag-Er
true
Ag4 Er2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89738311, "alpha": 75.25979672, "b": 6.06200655, "beta": 66.17523302, "c": 6.06200655, "gamma": 66.17523302, "matrix": [ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ], "volume": 149.7051128394 }, "sites": [ { "abc": [ 0.460493, 0.789507, 0.289507 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 3.6386679362, 4.3520415649, 3.883697515 ] }, { "abc": [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 2.8371051686, 1.160311796, 5.6989580101 ] }, { "abc": [ 0.834514, 0.212807, 0.11816499999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1633703517, 1.1730673817, 2.6954292863 ] }, { "abc": [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3124027530999998, 4.3392859792, 6.8872262389 ] }, { "abc": [ 0.834514, 0.618165, 0.712807 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.9723513353, 3.4075439153, 6.9253756646 ] }, { "abc": [ 0.165486, 0.381835, 0.287193 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5034217694, 2.1048094455, 2.6572798605 ] } ] }
wbm-1-27
wbm-1-27
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6
[ 68, 68, 47, 47, 47, 47 ]
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Ag2 Eu1
3
72.44
-16.612
-0.221
0.022
0
A2B_tI6_139_e_a:Ag-Eu
-16.612433
0
0
-0.230078
-0.230078
0.083414
1.132477
A2B_tI6_139_e_a:Ag-Eu
true
Ag2 Eu1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-28
wbm-1-28
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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[ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ]
3
[ 63, 47, 47 ]
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Ag2 Hf1
3
56.5
-15.631
-0.006
0.074
0
A2B_tI6_139_e_a:Ag-Hf
-15.630782
0
0
-0.002794
-0.002794
0.073915
0.279444
A2B_tI6_139_e_a:Ag-Hf
true
Ag2 Hf1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58275041, "alpha": 110.66278851, "b": 3.58275041, "beta": 110.66278851, "c": 5.07662668, "gamma": 90, "matrix": [ [ 3.352284266, 0, -1.2642352236 ], [ -0.47677660180000003, 3.3182064239, -1.2642352236 ], [ 0, 0, 5.07662668 ] ], "volume": 56.4702182603 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.667181, 0.667181, 0.33436099999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.9184840789000002, 2.2138442801, 0.010478531900000001 ] }, { "abc": [ 0.332819, 0.332819, 0.665639 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9570235853000001, 1.1043621438, 2.5376777008999998 ] } ] }
wbm-1-29
wbm-1-29
[ [ 0, 0, 0 ], [ 0.667181, 0.667181, 0.33436099999999996 ], [ 0.332819, 0.332819, 0.665639 ] ]
[ [ 0, 0, 0 ], [ 1.91848407890862, 2.213844280104026, 0.010478531918136635 ], [ 0.9570235852913798, 1.104362143795974, 2.537677700881863 ] ]
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3
[ 72, 47, 47 ]
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Ac1 Ag2 Hg1
4
102.18
-11.013
-0.231
0.05
0
AB2C_cF16_225_a_c_b:Ac-Ag-Hg
-11.012604
0
0
-0.230626
-0.230626
0.042591
0.018855
AB2C_cF16_225_a_c_b:Ac-Ag-Hg
true
Ac1 Ag2 Hg1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.27593615, "alpha": 60, "b": 5.27593615, "beta": 60, "c": 5.27593615, "gamma": 60, "matrix": [ [ 4.5690947346, 0, 2.637968075 ], [ 1.5230315782, 4.3077838277, 2.637968075 ], [ 0, 0, 5.27593615 ] ], "volume": 103.8445228701 }, "sites": [ { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ac", "species": [ { "element": "Ac", "occu": 1 } ], "xyz": [ 1.5230315782, 1.0769459569, 2.637968075 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0460509722, 2.1538962216, 5.27593615 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 4.5690825504, 3.2308421785, 7.913904225 ] } ] }
wbm-1-30
wbm-1-30
[ [ 0.25, 0.25, 0.25 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
[ [ 1.5230315782, 1.076945956925, 2.637968075 ], [ 3.0460509721473743, 2.1538962216338278, 5.27593615 ], [ 0, 0, 0 ], [ 4.569082550347374, 3.2308421785588273, 7.913904225 ] ]
[ [ 1.5230315782, 1.076945956925, 2.637968075 ], [ 3.0460509721473743, 2.1538962216338278, 5.27593615 ], [ 0, 0, 0 ], [ 4.569082550347374, 3.2308421785588273, 7.913904225 ] ]
[ [ 4.5690947346, 0, 2.637968075 ], [ 1.5230315782, 4.3077838277, 2.637968075 ], [ 0, 0, 5.27593615 ] ]
4
[ 89, 47, 47, 80 ]
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Ag2 Ho1 Tl1
4
87.48
-13.521
-0.23
0.02
0
A2BC_cF16_225_c_a_b:Ag-Ho-Tl
-13.520646
0
0
-0.227612
-0.227612
0.023951
0.019188
A2BC_cF16_225_c_a_b:Ag-Ho-Tl
true
Ag2 Ho1 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.01212832, "alpha": 60, "b": 5.01212832, "beta": 60, "c": 5.01212832, "gamma": 60, "matrix": [ [ 4.3406304521, 0, 2.50606416 ], [ 1.4468768174, 4.0923856365, 2.50606416 ], [ 0, 0, 5.01212832 ] ], "volume": 89.0331103988 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 4.3406304521, 3.0692892273, 7.51819248 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 1.4468883924, 1.0230923167, 2.50606416 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.8937420598, 2.0461969106, 5.01212832 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-31
wbm-1-31
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
[ [ 4.340630452125, 3.069289227375, 7.518192480000001 ], [ 1.4468883923895386, 1.0230923167393635, 2.50606416 ], [ 2.893742059735461, 2.046196910635637, 5.01212832 ], [ 0, 0, 0 ] ]
[ [ 4.340630452125, 3.069289227375, 7.518192480000001 ], [ 1.4468883923895386, 1.0230923167393635, 2.50606416 ], [ 2.893742059735461, 2.046196910635637, 5.01212832 ], [ 0, 0, 0 ] ]
[ [ 4.3406304521, 0, 2.50606416 ], [ 1.4468768174, 4.0923856365, 2.50606416 ], [ 0, 0, 5.01212832 ] ]
4
[ 67, 81, 47, 47 ]
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Ag4 Ho2
6
132.39
-22.118
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0.007
0
A2B_oI12_74_h_e:Ag-Ho
-22.117765
0
0
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0.064975
0.345352
A2B_oI12_74_h_e:Ag-Ho
true
Ag4 Ho2
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wbm-1-32
wbm-1-32
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6
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Ag2 Hg1 I4
7
280.05
-14.155
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1.22
A2BC4_tI14_121_d_a_i:Ag-Hg-I
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0
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0.000717
0.036645
A2BC4_tI14_121_d_a_i:Ag-Hg-I
false
Ag2 Hg1 I4
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wbm-1-33
wbm-1-33
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7
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Ag2 Ba1 In2
5
140.71
-14.511
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0.011
0
A2BC2_tI10_139_d_a_e:Ag-Ba-In
-14.510658
0
0
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0.004512
1.389976
A2BC2_tI10_139_d_a_e:Ag-Ba-In
true
Ag2 Ba1 In2
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wbm-1-34
wbm-1-34
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5
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Ac1 Ag2 In1
4
102.5
-13.718
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0
AB2C_cF16_225_a_c_b:Ac-Ag-In
-13.718391
0
0
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0.006159
0.040985
AB2C_cF16_225_a_c_b:Ac-Ag-In
false
Ac1 Ag2 In1
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wbm-1-35
wbm-1-35
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4
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Ag2 Hf1 In1
4
77.79
-18.504
-0.035
0.056
0
A2BC_cF16_225_c_a_b:Ag-Hf-In
-18.503797
0
0
-0.032424
-0.032424
0.052854
0
A2BC_cF16_225_c_a_b:Ag-Hf-In
true
Ag2 Hf1 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.81630862, "alpha": 60.00000008, "b": 4.81630863, "beta": 60.00000008, "c": 4.81630863, "gamma": 60.00000009, "matrix": [ [ 4.1710456207, 0, 2.4081543042 ], [ 1.3903485401, 3.9324995333, 2.4081543092 ], [ 0, 0, 4.81630863 ] ], "volume": 79.0001522989 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 2.7806970804, 1.9662497667, 4.8163086217 ] }, { "abc": [ 0, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1710456206, 2.94937465, 7.2244629325 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3903485402, 0.9831248833, 2.4081543108 ] } ] }
wbm-1-36
wbm-1-36
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
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Ag2 In1 U1
4
88.46
-18.894
0.202
0.233
0
A2BC_cF16_225_c_a_b:Ag-In-U
-18.893738
0
0
0.203641
0.203641
0.227871
0.070003
A2BC_cF16_225_c_a_b:Ag-In-U
true
Ag2 In1 U1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.81630862, "alpha": 60.00000008, "b": 4.81630863, "beta": 60.00000008, "c": 4.81630863, "gamma": 60.00000009, "matrix": [ [ 4.1710456207, 0, 2.4081543042 ], [ 1.3903485401, 3.9324995333, 2.4081543092 ], [ 0, 0, 4.81630863 ] ], "volume": 79.0001522989 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 2.7806970804, 1.9662497667, 4.8163086217 ] }, { "abc": [ 0, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1710456206, 2.94937465, 7.2244629325 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3903485402, 0.9831248833, 2.4081543108 ] } ] }
wbm-1-37
wbm-1-37
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
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Ag2 In1
3
59.45
-8.468
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0.021
0
A2B_tI6_139_e_a:Ag-In
-8.467614
0
0
-0.016905
-0.016905
0.015095
0.275267
A2B_tI6_139_e_a:Ag-In
true
Ag2 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-38
wbm-1-38
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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3
[ 49, 47, 47 ]
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Ag6 In3
9
177.07
-25.322
-0.01
0.03
0
A2B_hP9_189_fg_ad:Ag-In
-25.321912
0
0
-0.007912
-0.007912
0.024087
0.056839
A2B_hP9_189_fg_ad:Ag-In
true
Ag6 In3
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 2.92902007, "alpha": 119.99999999, "b": 7.88249838, "beta": 90, "c": 7.88249838, "gamma": 90, "matrix": [ [ 2.92902007, 0, 1.793507527e-16 ], [ 0, 6.8264438431, -3.9412491888 ], [ 0, 0, 7.88249838 ] ], "volume": 157.6089078476 }, "sites": [ { "abc": [ 0, 0.33333333330000003, 0.6666666667000001 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 3.659252987e-16, 2.2754812810000002, 3.9412491903999998 ] }, { "abc": [ 0, 0.6666666667000001, 0.33333333330000003 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 7.318505974e-16, 4.5509625620000005, 8e-10 ] }, { "abc": [ 0.5, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 1.464510035, 0, 8.967537633e-17 ] }, { "abc": [ 0, 0.694468, 0.694468 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 7.62370231e-16, 4.7407468028, 2.7370714433 ] }, { "abc": [ 0, 0.30553199999999997, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.354056651e-16, 2.0856970403, -1.2041777472 ] }, { "abc": [ 0, 0, 0.30553199999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 2.408355495 ] }, { "abc": [ 0.5, 0, 0.6389509999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.464510035, 0, 5.0365302224 ] }, { "abc": [ 0.5, 0.6389509999999999, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.464510035, 4.36176312, -2.5182651104 ] }, { "abc": [ 0.5, 0.361049, 0.361049 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.464510035, 2.4646807231, 1.4229840792 ] } ] }
wbm-1-39
wbm-1-39
[ [ 0, 0.33333333330000003, 0.6666666667000001 ], [ 0, 0.6666666667000001, 0.33333333330000003 ], [ 0.5, 0, 0 ], [ 0, 0.694468, 0.694468 ], [ 0, 0.30553199999999997, 0 ], [ 0, 0, 0.30553199999999997 ], [ 0.5, 0, 0.6389509999999999 ], [ 0.5, 0.6389509999999999, 0 ], [ 0.5, 0.361049, 0.361049 ] ]
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9
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Ag4 In2
6
117.85
-17.036
-0.036
0.004
0
A2B_oC12_63_g_c:Ag-In
-17.036004
0
0
-0.033701
-0.033701
-0.001701
0.286444
A2B_oC12_63_g_c:Ag-In
true
Ag4 In2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.6184654, "alpha": 60.27818264, "b": 5.01879205, "beta": 90, "c": 5.06141561, "gamma": 90, "matrix": [ [ 4.6184654, 0, 2.827994435e-16 ], [ -2.66883221e-16, 4.3585337621, 2.4882638698 ], [ 0, 0, 5.06141561 ] ], "volume": 101.8849669744 }, "sites": [ { "abc": [ 0, 0.993741, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ -2.65212799e-16, 4.3312536993, 2.4726898263 ] }, { "abc": [ 0.5, 0.338843, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 2.3092327, 1.4768586555, 0.8431307945000001 ] }, { "abc": [ 0, 0.6458079999999999, 0.6779609999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1.723553192e-16, 2.8147759718, 5.0383831016 ] }, { "abc": [ 0, 0.323769, 0.32203899999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -8.640851358999999e-17, 1.4111581176, 2.4355959265 ] }, { "abc": [ 0.5, 0.009837, 0.677832 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3092327, 0.042874896600000004, 3.4552665174 ] }, { "abc": [ 0.5, 0.687669, 0.322168 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3092327, 2.9972285536000003, 3.3417280714 ] } ] }
wbm-1-40
wbm-1-40
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6
[ 49, 49, 47, 47, 47, 47 ]
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Ag2 Bi1 La1
4
102
-15.851
-0.342
0.182
0
A2BC_cF16_225_c_a_b:Ag-Bi-La
-15.850934
0
0
-0.352308
-0.352308
0.183762
0.010828
A2BC_cF16_225_c_a_b:Ag-Bi-La
true
Ag2 Bi1 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.22988571, "alpha": 60, "b": 5.22988571, "beta": 60, "c": 5.22988571, "gamma": 60, "matrix": [ [ 4.5292138837, 0, 2.614942855 ], [ 1.5097379612, 4.2701838009, 2.614942855 ], [ 0, 0, 5.22988571 ] ], "volume": 101.1490007747 }, "sites": [ { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.5292259617, 3.2026335805, 7.844828565 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0194759225, 2.1350919004, 5.22988571 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.5097500392, 1.06754168, 2.614942855 ] } ] }
wbm-1-41
wbm-1-41
[ [ 0.750003, 0.749999, 0.749999 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.250003, 0.249999, 0.249999 ] ]
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[ [ 4.52922596157869, 3.2026335804911987, 7.8448285649999985 ], [ 3.01947592245, 2.13509190045, 5.22988571 ], [ 0, 0, 0 ], [ 1.5097500391286895, 1.067541680041199, 2.614942855 ] ]
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4
[ 57, 47, 47, 83 ]
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Ag2 Eu1 La1
4
110.68
-22.029
-0.291
-0.001
0
A2BC_cF16_225_c_a_b:Ag-Eu-La
-22.037022
0
0
-0.294705
-0.294705
-0.00249
0.024541
A2BC_cF16_225_c_a_b:Ag-Eu-La
false
Ag2 Eu1 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.34305633, "alpha": 60, "b": 5.34305633, "beta": 60, "c": 5.34305633, "gamma": 60, "matrix": [ [ 4.6272225156, 0, 2.671528165 ], [ 1.5424075052, 4.3625872251, 2.671528165 ], [ 0, 0, 5.34305633 ] ], "volume": 107.858471297 }, "sites": [ { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.6272348549, 3.2719360563, 8.014584495 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 1.5424075052, 1.0906468063, 2.671528165 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0848273497, 2.18128925, 5.34305633 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-42
wbm-1-42
[ [ 0.750003, 0.749999, 0.749999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
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[ [ 4.627234854860041, 3.271936056237775, 8.014584495 ], [ 1.5424075052, 1.090646806275, 2.671528165 ], [ 3.084827349660041, 2.181289249962775, 5.34305633 ], [ 0, 0, 0 ] ]
[ [ 4.6272225156, 0, 2.671528165 ], [ 1.5424075052, 4.3625872251, 2.671528165 ], [ 0, 0, 5.34305633 ] ]
4
[ 57, 63, 47, 47 ]
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Ag2 Hg1 La1
4
94.8
-12.004
-0.279
0.042
0
A2BC_cF16_225_c_a_b:Ag-Hg-La
-12.004046
0
0
-0.274786
-0.274786
0.030621
0.016006
A2BC_cF16_225_c_a_b:Ag-Hg-La
false
Ag2 Hg1 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.13908771, "alpha": 60, "b": 5.13908771, "beta": 60, "c": 5.13908771, "gamma": 60, "matrix": [ [ 4.4505805091, 0, 2.569543855 ], [ 1.4835268364, 4.1960475443, 2.569543855 ], [ 0, 0, 5.13908771 ] ], "volume": 95.9716788421 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.4505805091, 3.1470356582, 7.708631565 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.9670418045, 2.0980279682, 5.13908771 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 1.4835387046, 1.04900769, 2.569543855 ] } ] }
wbm-1-43
wbm-1-43
[ [ 0.75, 0.75, 0.75 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ], [ 0.250003, 0.249999, 0.249999 ] ]
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[ [ 4.450580509125, 3.1470356582249996, 7.708631565 ], [ 2.967041804535309, 2.0980279681975444, 5.13908771 ], [ 0, 0, 0 ], [ 1.4835387045896908, 1.0490076900274556, 2.569543855 ] ]
[ [ 4.4505805091, 0, 2.569543855 ], [ 1.4835268364, 4.1960475443, 2.569543855 ], [ 0, 0, 5.13908771 ] ]
4
[ 57, 47, 47, 80 ]
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Ag2 La1 Pb1
4
99.34
-15.63
-0.336
0.049
0
A2BC_cF16_225_c_a_b:Ag-La-Pb
-15.629633
0
0
-0.328958
-0.328958
0.048096
0.084269
A2BC_cF16_225_c_a_b:Ag-La-Pb
true
Ag2 La1 Pb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-44
wbm-1-44
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4
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Ag2 La1
3
73.71
-11.323
-0.246
-0.012
0
A2B_tI6_139_e_a:Ag-La
-11.322906
0
0
-0.240569
-0.240569
0.060154
0.511704
A2B_tI6_139_e_a:Ag-La
true
Ag2 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-45
wbm-1-45
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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3
[ 57, 47, 47 ]
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Ag2 La1 Yb1
4
104.58
-13.639
-0.382
-0.032
0
A2BC_cF16_225_c_a_b:Ag-La-Yb
-13.639466
0
0
-0.374666
-0.374666
0.000315
0.033536
A2BC_cF16_225_c_a_b:Ag-La-Yb
false
Ag2 La1 Yb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.34305633, "alpha": 60, "b": 5.34305633, "beta": 60, "c": 5.34305633, "gamma": 60, "matrix": [ [ 4.6272225156, 0, 2.671528165 ], [ 1.5424075052, 4.3625872251, 2.671528165 ], [ 0, 0, 5.34305633 ] ], "volume": 107.858471297 }, "sites": [ { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.6272348549, 3.2719360563, 8.014584495 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Yb", "species": [ { "element": "Yb", "occu": 1 } ], "xyz": [ 1.5424075052, 1.0906468063, 2.671528165 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0848273497, 2.18128925, 5.34305633 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-46
wbm-1-46
[ [ 0.750003, 0.749999, 0.749999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
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4
[ 57, 70, 47, 47 ]
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Ag2 Lu1 Tl1
4
85.48
-13.307
-0.189
0.069
0
A2BC_cF16_225_c_a_b:Ag-Lu-Tl
-13.307043
0
0
-0.189561
-0.189561
0.066243
0.04112
A2BC_cF16_225_c_a_b:Ag-Lu-Tl
true
Ag2 Lu1 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.01212832, "alpha": 60, "b": 5.01212832, "beta": 60, "c": 5.01212832, "gamma": 60, "matrix": [ [ 4.3406304521, 0, 2.50606416 ], [ 1.4468768174, 4.0923856365, 2.50606416 ], [ 0, 0, 5.01212832 ] ], "volume": 89.0331103988 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 4.3406304521, 3.0692892273, 7.51819248 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 1.4468883924, 1.0230923167, 2.50606416 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.8937420598, 2.0461969106, 5.01212832 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-47
wbm-1-47
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
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4
[ 71, 81, 47, 47 ]
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Ag4 Lu2
6
128.61
-21.868
-0.25
0.038
0
A2B_oI12_74_h_e:Ag-Lu
-21.867897
0
0
-0.24925
-0.24925
0.091807
0.401095
A2B_oI12_74_h_e:Ag-Lu
true
Ag4 Lu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89738311, "alpha": 75.25979672, "b": 6.06200655, "beta": 66.17523302, "c": 6.06200655, "gamma": 66.17523302, "matrix": [ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ], "volume": 149.7051128394 }, "sites": [ { "abc": [ 0.460493, 0.789507, 0.289507 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 3.6386679362, 4.3520415649, 3.883697515 ] }, { "abc": [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 2.8371051686, 1.160311796, 5.6989580101 ] }, { "abc": [ 0.834514, 0.212807, 0.11816499999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1633703517, 1.1730673817, 2.6954292863 ] }, { "abc": [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3124027530999998, 4.3392859792, 6.8872262389 ] }, { "abc": [ 0.834514, 0.618165, 0.712807 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.9723513353, 3.4075439153, 6.9253756646 ] }, { "abc": [ 0.165486, 0.381835, 0.287193 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5034217694, 2.1048094455, 2.6572798605 ] } ] }
wbm-1-48
wbm-1-48
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6
[ 71, 71, 47, 47, 47, 47 ]
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Ag2 Nd1
3
70.52
-11.216
-0.264
-0.007
0
A2B_tI6_139_e_a:Ag-Nd
-11.215523
0
0
-0.260741
-0.260741
0.018901
0.294014
A2B_tI6_139_e_a:Ag-Nd
true
Ag2 Nd1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-49
wbm-1-49
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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3
[ 60, 47, 47 ]
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Ag4 Nd2
6
142.46
-22.545
-0.283
-0.026
0
A2B_oI12_74_h_e:Ag-Nd
-22.545056
0
0
-0.279743
-0.279743
-0.0001
0.237182
A2B_oI12_74_h_e:Ag-Nd
false
Ag4 Nd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89738311, "alpha": 75.25979672, "b": 6.06200655, "beta": 66.17523302, "c": 6.06200655, "gamma": 66.17523302, "matrix": [ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ], "volume": 149.7051128394 }, "sites": [ { "abc": [ 0.460493, 0.789507, 0.289507 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 3.6386679362, 4.3520415649, 3.883697515 ] }, { "abc": [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 2.8371051686, 1.160311796, 5.6989580101 ] }, { "abc": [ 0.834514, 0.212807, 0.11816499999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1633703517, 1.1730673817, 2.6954292863 ] }, { "abc": [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3124027530999998, 4.3392859792, 6.8872262389 ] }, { "abc": [ 0.834514, 0.618165, 0.712807 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.9723513353, 3.4075439153, 6.9253756646 ] }, { "abc": [ 0.165486, 0.381835, 0.287193 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5034217694, 2.1048094455, 2.6572798605 ] } ] }
wbm-1-50
wbm-1-50
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6
[ 60, 60, 47, 47, 47, 47 ]
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Ac1 Ag2 Pb1
4
106.53
-14.681
-0.299
-0.035
0
AB2C_cF16_225_a_c_b:Ac-Ag-Pb
-14.680687
0
0
-0.295422
-0.295422
0.000475
0.003391
AB2C_cF16_225_a_c_b:Ac-Ag-Pb
false
Ac1 Ag2 Pb1
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wbm-1-51
wbm-1-51
[ [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 89, 47, 47, 82 ]
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Ag4 Pb2
6
133.25
-18.571
0.024
0.024
0.43
A2B_cF24_227_c_b:Ag-Pb
-18.571023
0
0
0.030763
0.030763
0.030749
0.019822
A2B_cF24_227_c_b:Ag-Pb
true
Ag4 Pb2
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wbm-1-52
wbm-1-52
[ [ 0, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0.625, 0.125, 0.125 ], [ 0.375, 0.875, 0.875 ] ]
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6
[ 47, 47, 47, 47, 82, 82 ]
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Ag2 Pr1
3
71.8
-11.185
-0.248
0.003
0
A2B_tI6_139_e_a:Ag-Pr
-11.185248
0
0
-0.246383
-0.246383
0.031087
0.3223
A2B_tI6_139_e_a:Ag-Pr
true
Ag2 Pr1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-53
wbm-1-53
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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3
[ 59, 47, 47 ]
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Ag4 Pr2
6
144.58
-22.564
-0.28
-0.03
0
A2B_oI12_74_h_e:Ag-Pr
-22.564436
0
0
-0.278706
-0.278706
-0.001237
0.200302
A2B_oI12_74_h_e:Ag-Pr
false
Ag4 Pr2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89738311, "alpha": 75.25979672, "b": 6.06200655, "beta": 66.17523302, "c": 6.06200655, "gamma": 66.17523302, "matrix": [ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ], "volume": 149.7051128394 }, "sites": [ { "abc": [ 0.460493, 0.789507, 0.289507 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 3.6386679362, 4.3520415649, 3.883697515 ] }, { "abc": [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 2.8371051686, 1.160311796, 5.6989580101 ] }, { "abc": [ 0.834514, 0.212807, 0.11816499999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1633703517, 1.1730673817, 2.6954292863 ] }, { "abc": [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3124027530999998, 4.3392859792, 6.8872262389 ] }, { "abc": [ 0.834514, 0.618165, 0.712807 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.9723513353, 3.4075439153, 6.9253756646 ] }, { "abc": [ 0.165486, 0.381835, 0.287193 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5034217694, 2.1048094455, 2.6572798605 ] } ] }
wbm-1-54
wbm-1-54
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6
[ 59, 59, 47, 47, 47, 47 ]
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Ag2 Pu1
3
64.13
-19.867
0.041
0.041
0
A2B_tI6_139_e_a:Ag-Pu
-19.866986
0
0
0.022005
0.022005
0.021988
2.044347
A2B_tI6_139_e_a:Ag-Pu
true
Ag2 Pu1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-55
wbm-1-55
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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3
[ 94, 47, 47 ]
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Ag4 Ba2 Sb4
10
279.25
-36.75
-0.508
-0.036
0
A2BC2_mP10_11_2e_e_2e:Ag-Ba-Sb
-36.750292
-0.0768
0
-0.506589
-0.583389
-0.052296
0.984574
A2BC2_tP10_129_ac_c_bc:Ag-Ba-Sb
true
Ag4 Ba2 Sb4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.87505712, "alpha": 91.24250946, "b": 4.99508179, "beta": 90, "c": 11.30465274, "gamma": 90, "matrix": [ [ 4.87505712, 0, 2.985111549e-16 ], [ 8.030815437999999e-16, 4.9939072989, -0.10831425950000001 ], [ 0, 0, 11.30465274 ] ], "volume": 275.2183653448 }, "sites": [ { "abc": [ 0.25, 0.262279, 0.755925 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 1.21876428, 1.3097970124, 8.5170610668 ] }, { "abc": [ 0.75, 0.737721, 0.244075 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 3.65629284, 3.6841102864, 2.6792774137 ] }, { "abc": [ 0.75, 0.31027299999999997, 0.0007149999999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.65629284, 1.5494745993999999, -0.025524163500000002 ] }, { "abc": [ 0.75, 0.74819, 0.6337809999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.65629284, 3.736391502, 7.0836344724 ] }, { "abc": [ 0.25, 0.25181000000000003, 0.36621899999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.21876428, 1.2575157969, 4.1127040081 ] }, { "abc": [ 0.25, 0.689727, 0.999285 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.21876428, 3.4444326995, 11.221862644 ] }, { "abc": [ 0.75, 0.24731000000000003, 0.501085 ], "label": "Sb", "species": [ { "element": "Sb", "occu": 1 } ], "xyz": [ 3.65629284, 1.2350432141, 5.6378047187 ] }, { "abc": [ 0.25, 0.7526900000000001, 0.498915 ], "label": "Sb", "species": [ { "element": "Sb", "occu": 1 } ], "xyz": [ 1.21876428, 3.7588640848, 5.5585337618 ] }, { "abc": [ 0.25, 0.19512000000000002, 0.123651 ], "label": "Sb", "species": [ { "element": "Sb", "occu": 1 } ], "xyz": [ 1.21876428, 0.9744111922, 1.3766973376 ] }, { "abc": [ 0.75, 0.80488, 0.8763489999999999 ], "label": "Sb", "species": [ { "element": "Sb", "occu": 1 } ], "xyz": [ 3.65629284, 4.0194961067, 9.8196411428 ] } ] }
wbm-1-56
wbm-1-56
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10
[ 56, 56, 47, 47, 47, 47, 51, 51, 51, 51 ]
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Ac1 Ag2 Sb1
4
103.97
-15.246
-0.333
-0.167
0
AB2C_cF16_225_a_c_b:Ac-Ag-Sb
-15.245899
-0.048
0
-0.332625
-0.380625
-0.21627
0.006972
AB2C_cF16_225_a_c_b:Ac-Ag-Sb
true
Ac1 Ag2 Sb1
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wbm-1-57
wbm-1-57
[ [ 0.25, 0.25, 0.25 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
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4
[ 89, 47, 47, 51 ]
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Ag2 Sm1
3
68.41
-11.241
-0.289
-0.023
0
A2B_tI6_139_e_a:Ag-Sm
-11.240732
0
0
-0.285644
-0.285644
-0.026606
0.259611
A2B_tI6_139_e_a:Ag-Sm
true
Ag2 Sm1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.58125164, "alpha": 110.35103426, "b": 3.58125164, "beta": 110.35103426, "c": 5.14886607, "gamma": 90, "matrix": [ [ 3.3577082707, 0, -1.2454551289 ], [ -0.46196940080000004, 3.3257764663, -1.2454551289 ], [ 0, 0, 5.14886607 ] ], "volume": 57.4973212266 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Sm", "species": [ { "element": "Sm", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.665396, 0.665396, 0.330792 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.926813061, 2.2129583576, 0.0457619832 ] }, { "abc": [ 0.334604, 0.334604, 0.669208 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.9689258088, 1.1128181087, 2.6121938290999998 ] } ] }
wbm-1-58
wbm-1-58
[ [ 0, 0, 0 ], [ 0.665396, 0.665396, 0.330792 ], [ 0.334604, 0.334604, 0.669208 ] ]
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3
[ 62, 47, 47 ]
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Ag4 Sm2
6
139.09
-22.449
-0.284
-0.017
0
A2B_oI12_74_h_e:Ag-Sm
-22.448776
0
0
-0.280196
-0.280196
-0.021159
0.321499
A2B_oI12_74_h_e:Ag-Sm
true
Ag4 Sm2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89738311, "alpha": 75.25979672, "b": 6.06200655, "beta": 66.17523302, "c": 6.06200655, "gamma": 66.17523302, "matrix": [ [ 4.4800533122, 0, 1.978252675 ], [ 1.9957197926, 5.5123533609, 1.5423963001 ], [ 0, 0, 6.06200655 ] ], "volume": 149.7051128394 }, "sites": [ { "abc": [ 0.460493, 0.789507, 0.289507 ], "label": "Sm", "species": [ { "element": "Sm", "occu": 1 } ], "xyz": [ 3.6386679362, 4.3520415649, 3.883697515 ] }, { "abc": [ 0.539507, 0.21049299999999999, 0.7104929999999999 ], "label": "Sm", "species": [ { "element": "Sm", "occu": 1 } ], "xyz": [ 2.8371051686, 1.160311796, 5.6989580101 ] }, { "abc": [ 0.834514, 0.212807, 0.11816499999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1633703517, 1.1730673817, 2.6954292863 ] }, { "abc": [ 0.165486, 0.7871929999999999, 0.8818349999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3124027530999998, 4.3392859792, 6.8872262389 ] }, { "abc": [ 0.834514, 0.618165, 0.712807 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.9723513353, 3.4075439153, 6.9253756646 ] }, { "abc": [ 0.165486, 0.381835, 0.287193 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5034217694, 2.1048094455, 2.6572798605 ] } ] }
wbm-1-59
wbm-1-59
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6
[ 62, 62, 47, 47, 47, 47 ]
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Ag2 Ba1 Sn1
4
107.07
-12.478
-0.222
0.166
0
A2BC_cF16_225_c_a_b:Ag-Ba-Sn
-12.477841
0
0
-0.22101
-0.22101
0.143244
0.14881
A2BC_cF16_225_c_a_b:Ag-Ba-Sn
true
Ag2 Ba1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.01303266, "alpha": 60, "b": 5.01303266, "beta": 60, "c": 5.01303266, "gamma": 60, "matrix": [ [ 4.3414136336, 0, 2.50651633 ], [ 1.4471378779, 4.093124027, 2.50651633 ], [ 0, 0, 5.01303266 ] ], "volume": 89.081311917 }, "sites": [ { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 1.447149455, 1.0232769136, 2.50651633 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.8942757557, 2.0465620135, 5.01303266 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 4.3414020565, 3.0698471134, 7.51954899 ] } ] }
wbm-1-60
wbm-1-60
[ [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
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4
[ 56, 47, 47, 50 ]
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Ag2 Bi1 Sn1
4
95.33
-13.163
0.101
0.118
0
A2BC_cF16_225_c_a_b:Ag-Bi-Sn
-13.162789
0
0
0.088128
0.088128
0.100892
0.321252
A2BC_cF16_225_c_a_b:Ag-Bi-Sn
true
Ag2 Bi1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.26511327, "alpha": 60, "b": 5.26511327, "beta": 60, "c": 5.26511327, "gamma": 60, "matrix": [ [ 4.5597218456, 0, 2.6325566350000003 ], [ 1.5199072819000001, 4.2989469832000005, 2.6325566350000003 ], [ 0, 0, 5.26511327 ] ], "volume": 103.2067633352 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0398145637, 2.1494734916000002, 5.26511327 ] }, { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 4.5597340049, 3.2242059384, 7.897669905 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.5199194410999999, 1.0747324468, 2.6325566350000003 ] } ] }
wbm-1-61
wbm-1-61
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.750003, 0.749999, 0.749999 ], [ 0.250003, 0.249999, 0.249999 ] ]
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4
[ 47, 47, 50, 83 ]
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Ag2 Ce1 Sn1
4
91.15
-16.872
-0.318
0.034
0
A2BC_cF16_225_c_a_b:Ag-Ce-Sn
-16.874578
0
0
-0.31667
-0.31667
0.03282
0.061208
A2BC_cF16_225_c_a_b:Ag-Ce-Sn
false
Ag2 Ce1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-62
wbm-1-62
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4
[ 58, 47, 47, 50 ]
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Ag2 Dy1 Sn1
4
86.85
-15.747
-0.369
0.078
0
A2BC_cF16_225_c_a_b:Ag-Dy-Sn
-15.746955
0
0
-0.366339
-0.366339
0.078724
0.260994
A2BC_cF16_225_c_a_b:Ag-Dy-Sn
true
Ag2 Dy1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-63
wbm-1-63
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4
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Ag2 Er1 Sn1
4
85.79
-15.634
-0.35
0.078
0
A2BC_cF16_225_c_a_b:Ag-Er-Sn
-15.63392
0
0
-0.347855
-0.347855
0.078705
0.392829
A2BC_cF16_225_c_a_b:Ag-Er-Sn
true
Ag2 Er1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-64
wbm-1-64
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4
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Ag2 Ho1 Sn1
4
86.35
-15.686
-0.36
0.078
0
A2BC_cF16_225_c_a_b:Ag-Ho-Sn
-15.686481
0
0
-0.35732
-0.35732
0.078906
0.357942
A2BC_cF16_225_c_a_b:Ag-Ho-Sn
true
Ag2 Ho1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-65
wbm-1-65
[ [ 0.250003, 0.499998, 0.249998 ], [ 0, 0.000001, 0.000001 ], [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], [ 0.75, 0.49999899999999997, 0.7500009999999999 ] ]
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4
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Ag2 Lu1 Sn1
4
84.51
-15.449
-0.314
0.076
0
A2BC_cF16_225_c_a_b:Ag-Lu-Sn
-15.449209
0
0
-0.313352
-0.313352
0.077693
0.512286
A2BC_tI8_139_d_a_b:Ag-Lu-Sn
true
Ag2 Lu1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-66
wbm-1-66
[ [ 0.250003, 0.499998, 0.249998 ], [ 0, 0.000001, 0.000001 ], [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], [ 0.75, 0.49999899999999997, 0.7500009999999999 ] ]
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4
[ 71, 47, 47, 50 ]
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Ag2 Np1 Sn1
4
89.31
-22.149
0.115
0.169
0
A2BC_cF16_225_c_a_b:Ag-Np-Sn
-22.149379
0
0
0.118305
0.118305
0.163572
0.171299
A2BC_cF16_225_c_a_b:Ag-Np-Sn
true
Ag2 Np1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.26511327, "alpha": 60, "b": 5.26511327, "beta": 60, "c": 5.26511327, "gamma": 60, "matrix": [ [ 4.5597218456, 0, 2.6325566350000003 ], [ 1.5199072819000001, 4.2989469832000005, 2.6325566350000003 ], [ 0, 0, 5.26511327 ] ], "volume": 103.2067633352 }, "sites": [ { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Np", "species": [ { "element": "Np", "occu": 1 } ], "xyz": [ 1.5199194410999999, 1.0747324468, 2.6325566350000003 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0398145637, 2.1494734916000002, 5.26511327 ] }, { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 4.5597340049, 3.2242059384, 7.897669905 ] } ] }
wbm-1-67
wbm-1-67
[ [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.750003, 0.749999, 0.749999 ] ]
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4
[ 93, 47, 47, 50 ]
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Ag2 Pr1 Sn1
4
93.02
-16.005
-0.389
0.079
0
A2BC_cF16_225_c_a_b:Ag-Pr-Sn
-16.004659
0
0
-0.38724
-0.38724
0.078758
0.038971
A2BC_cF16_225_c_a_b:Ag-Pr-Sn
true
Ag2 Pr1 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-68
wbm-1-68
[ [ 0.250003, 0.499998, 0.249998 ], [ 0, 0.000001, 0.000001 ], [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], [ 0.75, 0.49999899999999997, 0.7500009999999999 ] ]
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4
[ 59, 47, 47, 50 ]
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Ag2 Sn1 Ta1
4
77.32
-19.16
0.591
0.619
0
A2BC_cF16_225_c_a_b:Ag-Sn-Ta
-19.159589
0
0
0.593253
0.593253
0.616812
0.347404
A2BC_cF16_225_c_a_b:Ag-Sn-Ta
true
Ag2 Sn1 Ta1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.26511327, "alpha": 60, "b": 5.26511327, "beta": 60, "c": 5.26511327, "gamma": 60, "matrix": [ [ 4.5597218456, 0, 2.6325566350000003 ], [ 1.5199072819000001, 4.2989469832000005, 2.6325566350000003 ], [ 0, 0, 5.26511327 ] ], "volume": 103.2067633352 }, "sites": [ { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ta", "species": [ { "element": "Ta", "occu": 1 } ], "xyz": [ 1.5199194410999999, 1.0747324468, 2.6325566350000003 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0398145637, 2.1494734916000002, 5.26511327 ] }, { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 4.5597340049, 3.2242059384, 7.897669905 ] } ] }
wbm-1-69
wbm-1-69
[ [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.750003, 0.749999, 0.749999 ] ]
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4
[ 73, 47, 47, 50 ]
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Ag2 Sn1 Tb1
4
87.41
-15.807
-0.378
0.077
0
A2BC_cF16_225_c_a_b:Ag-Sn-Tb
-15.807298
0
0
-0.374525
-0.374525
0.078319
0.225193
A2BC_cF16_225_c_a_b:Ag-Sn-Tb
true
Ag2 Sn1 Tb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Tb", "species": [ { "element": "Tb", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-70
wbm-1-70
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4
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Ag2 Ba1 Sn1 Te4
8
282.97
-28.501
-0.543
0.022
0.09
A2BCD4_oI16_23_f_a_b_k:Ag-Ba-Sn-Te
-28.501005
-0.211
0
-0.541751
-0.752751
0.015202
0.461844
A2BCD4_oI16_23_f_a_b_k:Ag-Ba-Sn-Te
true
Ag2 Ba1 Sn1 Te4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 6.7740867, "alpha": 101.39039498, "b": 6.77408716, "beta": 111.54357066, "c": 6.77408723, "gamma": 115.80428593, "matrix": [ [ 6.3008394692, 0, -2.4875032869 ], [ -3.6983887887, 5.5154669045, -1.3378348341000001 ], [ 0, 0, 6.77408723 ] ], "volume": 235.4135641926 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.809619, 0.309619 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.1561339018, 4.4654267998, -0.22950203 ] }, { "abc": [ 0.5, 0.190381, 0.690381 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.4463167786, 1.0500401048, 3.1782511389 ] }, { "abc": [ 0, 0.5, 0.5 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ -1.8491943944, 2.7577334523, 2.7181261979 ] }, { "abc": [ 0.98984, 0.12055199999999999, 0.521463 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ 5.7909747749000005, 0.6649005663, 0.9089269308000001 ] }, { "abc": [ 0.59909, 0.46837799999999996, 0.478537 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ 2.0425259735, 2.5833233578, 1.1248006327 ] }, { "abc": [ 0.01016, 0.531623, 0.130713 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ -1.9021320140000002, 2.9321490622, 0.1489644627 ] }, { "abc": [ 0.40091000000000004, 0.879447, 0.8692869999999999 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ -0.7264673735, 4.8505608228, 3.7148061918 ] } ] }
wbm-1-71
wbm-1-71
[ [ 0, 0, 0 ], [ 0.5, 0.809619, 0.309619 ], [ 0.5, 0.190381, 0.690381 ], [ 0, 0.5, 0.5 ], [ 0.98984, 0.12055199999999999, 0.521463 ], [ 0.59909, 0.46837799999999996, 0.478537 ], [ 0.01016, 0.531623, 0.130713 ], [ 0.40091000000000004, 0.879447, 0.8692869999999999 ] ]
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8
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Ag2 Sn1 Th1
4
93.35
-18.012
-0.234
0.089
0
A2BC_cF16_225_c_a_b:Ag-Sn-Th
-18.012485
0
0
-0.230946
-0.230946
0.05759
0.529817
A2BC_tI8_139_d_a_b:Ag-Sn-Th
true
Ag2 Sn1 Th1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.14017377, "alpha": 60.00045398, "b": 5.14014578, "beta": 89.9995069, "c": 5.14017056, "gamma": 119.99976473, "matrix": [ [ 5.1401737698, 0, 0.000044237500000000005 ], [ -2.5700767295, 3.6346541627, 2.5700376187 ], [ 0, 0, 5.14017056 ] ], "volume": 96.0325420367 }, "sites": [ { "abc": [ 0.250003, 0.499998, 0.249998 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 0.000025638400000000002, 1.8173198121, 2.5700570884 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -0.0000025701, 0.0000036347, 0.0000077102 ] }, { "abc": [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.000010155400000000001, 3.6346468934000002, 5.1401501577 ] }, { "abc": [ 0.75, 0.49999899999999997, 0.7500009999999999 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 2.5700945326999998, 1.8173234467000001, 5.1401824776 ] } ] }
wbm-1-72
wbm-1-72
[ [ 0.250003, 0.499998, 0.249998 ], [ 0, 0.000001, 0.000001 ], [ 0.49999899999999997, 0.9999979999999999, 0.500002 ], [ 0.75, 0.49999899999999997, 0.7500009999999999 ] ]
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4
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