material_id stringlengths 4 18 | formula_reduced stringlengths 1 21 | CIF stringlengths 761 7.38k |
|---|---|---|
alex<agm004825152> | CaCe(DySe2)2 | [P2/m_sg]
data_[Ca1Ce1Dy2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1124]
_cell_len... |
agm2000027068 | O3Rh2 | data_[Rh4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pcc2]
_cell_length_a [4.5052]
_cell_length_b [17.3297]
_cell_length_c [7.7519]
_cell_angle_alpha [90.0000]
_cell_an... |
alex<agm005202210> | LaScGeH | [P4/nmm_sg]
data_[La2Sc2Ge2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3564]
_cell_l... |
alex<agm002183566> | EuS3 | [Aea2_sg]
data_[Eu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [6.8255]
_cell_length_b [8.1295]
_cell_length_c [7.0880]
_cell_angle_alpha [90.0000... |
agm003421184 | Ac3HgPd2 | data_[Ac18Hg6Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.1428]
_cell_length_b [8.1428]
_cell_length_c [20.4576]
... |
alex<agm004775037> | CeTi2NiN4 | [Cmcm_sg]
data_[Ce4Ti8Ni4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1490]
_cell_leng... |
alex<agm002362514> | EuHgF6 | [R-3_sg]
data_[Eu3Hg3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6480]
_cell_length_b [5.6480]
_cell_length_c [16.0... |
oqmd-5894423 | H3NaO3Zn | data_[Na8Zn8H24O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2bc]
_cell_length_a [10.6721]
_cell_length_b [10... |
mp-1207524 | O11W2Zr | data_[Zr8W16O88]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1cd]
_cell_length_a [11.6506]
_cell_length_b [11.6506]
_cell_length_c [12.6870]
... |
mp-1222733 | LaZn4Ni | [P-6m2_sg]
data_[La1Zn4Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3080]
_cell_length_b [5.3080]
_cell_length_c ... |
agm2000067406 | AuFO | data_[Au4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [21.1680]
_cell_length_b [3.9633]
_cell_length_c [8.0583]
_cell_... |
agm2000016901 | MnTe2 | data_[Mn2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [8.5480]
_cell_length_b [15.5800]
_cell_length_c [6.3299]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1219112 | SmB4(IrOs)2 | [P4_2_sg]
data_[Sm2B8Ir4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4_2]
_cell_length_a [7.6111]
_cell_lengt... |
alex<agm003534950> | In(SiPd4)2 | [C2/m_sg]
data_[In2Si4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4182]
_cell_length_b [10.8737]
_cell_length_c ... |
alex<agm004816247> | NaCa2YS4 | [P2/m_sg]
data_[Na1Ca2Y1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9021]
_cell_length_... |
alex<agm003738848> | BaPbF4 | [R-3m_sg]
data_[Ba3Pb3F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3512]
_cell_length_b [4.3512]
_cell_length_c [21... |
mp-1223690 | AgKSe3Sn | data_[K8Ag8Sn8Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4cc]
_cell_length_a [8.4429]
_cell_length_b [8.44... |
alex<agm004815393> | YAg(SnSe2)2 | [P2/m_sg]
data_[Y1Ag1Sn2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1856]
_cell_lengt... |
alex<agm005070392> | CsPrPbBr6 | [Imma_sg]
data_[Cs4Pr4Pb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.5966]
_cell_l... |
agm003593049 | Ag4RbTe4 | data_[Rb2Ag8Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [9.5897]
_cell_length_b [9.5897]
_cell_length_c [5.9490]
_... |
mp-642646 | BaH4O4P2 | data_[Ba4P8H16O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ccce]
_cell_length_a [6.3422]
_cell_length_b [16.0587... |
alex<agm004522260> | Sm2Si4Ir3Os | [P-4m2_sg]
data_[Sm2Si4Ir3Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1959]
_cell_l... |
alex<agm003761987> | LiPrIn5 | [P4/mmm_sg]
data_[Li1Pr1In5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8467]
_cell_length_b [4.8467]
_cell_length_... |
alex<agm004925055> | K2LiDyBr6 | [P2_1/c_sg]
data_[K4Li2Dy2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5915]
_cell_... |
alex<agm005019235> | TbTaSi2Os | [I-4m2_sg]
data_[Tb2Ta2Si4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0195]
_cell_l... |
alex<agm002326777> | Tb2TlAg2 | [P4/mbm_sg]
data_[Tb4Tl2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1158]
_cell_length_b [8.1158]
_cell_length_... |
alex<agm002922095> | Sr(CdGa)2 | [I4/mmm_sg]
data_[Sr2Cd4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7379]
_cell_length_b [4.7379]
_cell_length_... |
alex<agm004622367> | Nd2Dy(HoBi2)3 | [C2/m_sg]
data_[Nd4Dy2Ho6Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6109]
_cell_l... |
alex<agm002163451> | TbCoN3 | [C2/m_sg]
data_[Tb4Co4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7558]
_cell_length_b [3.7523]
_cell_length_c [7... |
alex<agm004732287> | Na4Ho3AlTe8 | [R-3m_sg]
data_[Na12Ho9Al3Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7094]
_cell_l... |
mp-1523224 | BaNdO6SrW | data_[Ba4Sr4Nd4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P222]
_cell_length_a... |
mp-1226711 | CeB4(IrOs)2 | [P4_2_sg]
data_[Ce2B8Ir4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4_2]
_cell_length_a [7.6237]
_cell_lengt... |
alex<agm001239949> | NaSbPb | [F-43m_sg]
data_[Na4Sb4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5177]
_cell_length_b [7.5177]
_cell_length_c ... |
alex<agm005131710> | Na2BeB2Pt5 | [P4/mbm_sg]
data_[Na4Be2B4Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7356]
_cell_... |
alex<agm003606573> | TlHPt | [Cmmm_sg]
data_[Tl4H4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4339]
_cell_length_b [10.5940]
_cell_length_c [3.... |
alex<agm002293226> | Rb2NaTbBr6 | [Fm-3m_sg]
data_[Rb8Na4Tb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4243]
_cell... |
oqmd-9523869 | CoMnO4V | data_[Mn4V4Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [6.1180]
_cell_length_b [6.11... |
alex<agm004714380> | La8SiS3Br4 | [R-3m_sg]
data_[La24Si3S9Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3862]
_cell_len... |
alex<agm001142012> | Ba2LiPd | [P4/mmm_sg]
data_[Ba2Li1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0420]
_cell_length_b [4.0420]
_cell_length_... |
mp-4122 | GaPO4 | [P3_121_sg]
data_[Ga3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.0091]
_cell_length_b [5.0091]
_cell_length_c [... |
alex<agm001116037> | CeTiIr2 | [P4/mmm_sg]
data_[Ce1Ti1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0423]
_cell_length_b [3.0423]
_cell_length_... |
alex<agm002274625> | Pr(Fe2Ge3)2 | [I-42m_sg]
data_[Pr2Fe8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.3314]
_cell_length_b [6.3314]
_cell_length_c... |
mp-7846 | P2Zn3 | data_[Zn6P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pn-3m]
_cell_length_a [5.7173]
_cell_length_b [5.7173]
_cell_length_c [5.7173]
_cell_angle_alpha [90.0000]
_cell_an... |
alex<agm005184132> | PrSnHgAu | [F-43m_sg]
data_[Pr4Sn4Hg4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3734]
_cell_l... |
alex<agm001225326> | TbSm2Er | [P4/mmm_sg]
data_[Tb1Sm2Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0717]
_cell_length_b [5.0717]
_cell_length_... |
agm005275431 | F8Fe5O4 | data_[Fe20O16F32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [5.4171]
_cell_length_b [9.8746]
_cell_length_c [16.3403]
_ce... |
alex<agm004587538> | Cs2Li(HfTe3)2 | [C2/m_sg]
data_[Cs4Li2Hf4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3043]
_cell_le... |
mp-546011 | YZnAsO | [P4/nmm_sg]
data_[Y2Zn2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9747]
_cell_len... |
alex<agm003475653> | DySn2Pd5 | [Immm_sg]
data_[Dy2Sn4Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2044]
_cell_length_b [5.7339]
_cell_length_c [... |
mp-1104487 | Dy3Ga8Rh3 | [Immm_sg]
data_[Dy6Ga16Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2133]
_cell_length_b [9.8141]
_cell_length_c [... |
alex<agm004952142> | Mn2InWO6 | [P1_sg]
data_[Mn2In1W1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4235]
_cell_length_b [5... |
alex<agm004575433> | BaB2(TeS3)2 | [P-1_sg]
data_[Ba1B2Te2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0301]
_cell_length_b ... |
alex<agm004557456> | Cs2Ti(CuS2)2 | [C2/m_sg]
data_[Cs4Ti2Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0096]
_cell_leng... |
alex<agm003261422> | MnCo3 | [Pmmn_sg]
data_[Mn2Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9494]
_cell_length_b [4.9300]
_cell_length_c [4.2975]
_cell_angle_alpha [90.000... |
alex<agm004637375> | Na3Zr(PbSe3)2 | [C2/m_sg]
data_[Na6Zr2Pb4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2820]
_cell_le... |
alex<agm003435541> | PrMg2Tl3 | [P6_3/mmc_sg]
data_[Pr2Mg4Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2508]
_cell_length_b [5.2508]
_cell_len... |
alex<agm002233538> | Cs3PS3 | [R3m_sg]
data_[Cs9P3S9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [11.2949]
_cell_length_b [11.2949]
_cell_length_c [6.944... |
alex<agm003366741> | Dy4Cd5Ag2 | [P2/m_sg]
data_[Dy4Cd5Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6982]
_cell_length_b [3.5330]
_cell_length_c [1... |
alex<agm004489470> | Pr2Sm4Ga3O2 | [I4/mmm_sg]
data_[Pr4Sm8Ga6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7719]
_cell_l... |
alex<agm005066052> | NaZrNbO5 | [C2/c_sg]
data_[Na4Zr4Nb4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2283]
_cell_leng... |
alex<agm004583232> | Cs2Tl2FeF6 | [C2/m_sg]
data_[Cs4Tl4Fe2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1398]
_cell_leng... |
alex<agm003477447> | Nd5AlCd2 | [I4/mcm_sg]
data_[Nd20Al4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9508]
_cell_length_b [7.9508]
_cell_length... |
alex<agm005212859> | TbYTlTe | [P4/mmm_sg]
data_[Tb1Y1Tl1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4018]
_cell_l... |
agm004456487 | BaSc | data_[Ba8Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4_32_12]
_cell_length_a [7.0512]
_cell_length_b [7.0512]
_cell_length_c [11.9226]
_cell_angle_alpha [90.0000]
_c... |
alex<agm003722108> | Sr3CdRh | [Pm_sg]
data_[Sr6Cd2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.6730]
_cell_length_b [5.6039]
_cell_length_c [8.460... |
mp-504540 | Na11O16U5 | data_[Na22U10O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_232]
_cell_length_a [9.6845]
_cell_length_b [9.6845]
_cell_length_c [9.6845]
_c... |
alex<agm001850837> | PdPb2 | [C2/m_sg]
data_[Pd2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.8836]
_cell_length_b [4.8428]
_cell_length_c [6.6462]
_cell_angle_alpha [90.000... |
alex<agm004732226> | Na4Ce3HfTe8 | [R-3m_sg]
data_[Na12Ce9Hf3Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9329]
_cell_l... |
alex<agm004848287> | CePr2TmN4 | [P2/m_sg]
data_[Ce1Pr2Tm1N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1779]
_cell_lengt... |
alex<agm003159089> | InHgBr | [F-43m_sg]
data_[In4Hg4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6241]
_cell_length_b [7.6241]
_cell_length_c ... |
agm001255450 | Ce3H12Sm5 | data_[Ce24Sm40H96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [13.4348]
_cell_length_b [13.4348]
_cell_length_c [13.4348... |
alex<agm003434757> | K3RbHg2 | [P6_3/mmc_sg]
data_[K6Rb2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2725]
_cell_length_b [6.2725]
_cell_lengt... |
agm003747762 | SiTe4Ti | data_[Ti2Si2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-42c]
_cell_length_a [6.2320]
_cell_length_b [6.2320]
_cell_length_c [10.8855]
_... |
agm003630777 | CsHSb2 | data_[Cs4Sb8H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [9.0838]
_cell_length_b [4.5820]
_cell_length_c [13.7899]
_cel... |
alex<agm005216404> | CsTlAsRh | [P4/nmm_sg]
data_[Cs2Tl2As2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3068]
_cell... |
alex<agm003476329> | RbNa5Bi2 | [Immm_sg]
data_[Rb2Na10Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3938]
_cell_length_b [9.7821]
_cell_length_c [... |
mp-771889 | Cl16La2Sr5 | data_[Sr20La8Cl64]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Ccce]
_cell_length_a [10.0892]
_cell_length_b [15.0035]
_cell_length_c [19.1631... |
agm003455130 | Al2CuSe4 | data_[Al2Cu1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.3277]
_cell_length_b [5.3277]
_cell_length_c [5.9110]
_c... |
alex<agm002184618> | ScNi | [Cmcm_sg]
data_[Sc4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4031]
_cell_length_b [9.4449]
_cell_length_c [4.0668]
_cell_angle_alpha [90.000... |
agm005863773 | BeCdCl4 | data_[Be2Cd2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mmc]
_cell_length_a [6.9421]
_cell_length_b [6.9421]
_cell_length_c [9.4148]... |
alex<agm004819085> | SmYHo2N4 | [P2/m_sg]
data_[Sm1Y1Ho2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0483]
_cell_length_... |
mp-30402 | K(SnAu2)2 | [I-4c2_sg]
data_[K4Sn8Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-4c2]
_cell_length_a [9.0544]
_cell_length_b [9.0544]
_cell_length_c [... |
mp-761897 | CuF3Li | data_[Li6Cu6F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_122]
_cell_length_a [5.0569]
_cell_length_b [5.0569]
_cell_length_c [14.6117]
_... |
alex<agm004597318> | Pr6Co2AuBr3 | [C2/m_sg]
data_[Pr12Co4Au2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7077]
_cell_l... |
alex<agm004609257> | Zr6H2C3N | [C2/m_sg]
data_[Zr12H4C6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7611]
_cell_length_b... |
alex<agm004602297> | Sm2Y(ErBi2)3 | [C2/m_sg]
data_[Sm4Y2Er6Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5072]
_cell_len... |
mp-680303 | Hg2N2O3 | data_[Hg40N40O60]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_32_12]
_cell_length_a [15.7271]
_cell_length_b [15.7271]
_cell_length_c [9.2919... |
alex<agm002323768> | Y3Sn7Ru2 | [P2/m_sg]
data_[Y3Sn7Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6939]
_cell_length_b [4.5633]
_cell_length_c [14.... |
alex<agm004533201> | Pr2Al4Ga3Au | [P-4m2_sg]
data_[Pr2Al4Ga3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3624]
_cell_l... |
oqmd-9784674 | Ge2Ho2O7 | data_[Ho8Ge8O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [6.7779]
_cell_length_b [6.7779]
_cell_length_c [12.3483]... |
alex<agm004746055> | CaPr(PPd)2 | [P-3m1_sg]
data_[Ca1Pr1P2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1777]
_cell_len... |
agm005071050 | F6GaSnTl | data_[Tl1Ga1Sn1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.8173]
_cell_length_b [5.8173]... |
alex<agm004842932> | LaSm2ErSb4 | [P2/m_sg]
data_[La1Sm2Er1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7556]
_cell_len... |
alex<agm004669554> | Rb3Li2VF8 | [P-3m1_sg]
data_[Rb3Li2V1F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8519]
_cell_lengt... |
alex<agm003565538> | LiCe3Sn5 | [P6_3/mcm_sg]
data_[Li2Ce6Sn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3000]
_cell_length_b [9.3000]
_cell_le... |
alex<agm004822133> | LiPr(PbSe2)2 | [P2/m_sg]
data_[Li1Pr1Pb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3125]
_cell_len... |
mp-1217079 | Ti2Si6Mo | [C222_sg]
data_[Ti4Si12Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [4.7126]
_cell_length_b [8.1807]
_cell_length_c [... |
alex<agm003557919> | Nd3Tm4Sc | [Pmn2_1_sg]
data_[Nd6Tm8Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2861]
_cell_length_b [7.2332]
_cell_length... |
alex<agm003414464> | CuPd3Au2 | [Cmcm_sg]
data_[Cu4Pd12Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [13.9458]
_cell_length_b [5.0322]
_cell_length_c ... |
alex<agm002871617> | Cu2HgO | [I4_1/amd_sg]
data_[Cu8Hg4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.2949]
_cell_length_b [5.2949]
_cell_lengt... |
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