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yhjollin
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Recursive_seed43_Loop_2

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757
1.57k
Generated_43891
MgAl
data_[Mg8Al8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [9.8269] _cell_length_b [5.0304] _cell_length_c [4.5717] _cell_angle_alpha [90.0000] _cell_a...
Generated_42333
SrLaFe4O7
data_[Sr2La2Fe8O16] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [5.5453] _cell_length_b [5.51...
Generated_4128
GdGe
data_[Gd4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1833] _cell_length_b [10.2586] _cell_length_c [3.9840] _cell_angle_alpha [90.0000] _cell_...
Generated_28748
CsLaMn2O6
data_[Cs1La1Mn2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.0103] _cell_length_b [4.0...
Generated_15534
CsBi
data_[Cs4Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.6504] _cell_length_b [11.9575] _cell_length_c [5.0457] _cell_angle_alpha [90.0000] _cell_...
Generated_43661
Ba2ScTlO6
data_[Ba8Sc4Tl4O24] 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 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.8635] _cell_length_b [8.8...
Generated_26003
Pr3Gd
data_[Pr6Gd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Gd 1.2000 1.8000 1.0750 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.1166] _cell_length_b [5.1166] _cell_length_c [10.3392] _cell_angle_alpha [90.0000] _cel...
Generated_44178
ErLuIn2
data_[Er4Lu4In8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Lu 1.2700 1.7500 1.0010 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.4142] _cell_length_b [7.4142] _cell_length_c [7.4142] _c...
Generated_32659
CuSe
data_[Cu4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.5689] _cell_length_b [5.5689] _cell_length_c [5.5689] _cell_angle_alpha [90.0000] _cell_...
Generated_30949
AlTe
data_[Al2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.0625] _cell_length_b [4.0625] _cell_length_c [7.3051] _cell_angle_alpha [90.0000] _ce...
Generated_10016
SrCoTe2
data_[Sr4Co4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.4672] _cell_length_b [17.3580] _cell_length_c [4.4263] _c...
Generated_38266
LuZrRh2
data_[Lu4Zr4Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Zr 1.3300 1.5500 0.8600 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.6162] _cell_length_b [6.6162] _cell_length_c [6.6162] _c...
Generated_10872
NaV3F12
data_[Na2V4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Im-3] _cell_length_a [7.4751] _cell_length_b [7.4751] _cell_length_c [7.4751] _cell_...
Generated_21191
Yb(BOs)2
data_[Yb8B16Os16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 B 2.0400 0.8500 0.4100 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [6.4803] _cell_length_b [9.4838] _cell_length_c [10.6729] _c...
Generated_14379
NdY3
data_[Nd2Y6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Y 1.2200 1.8000 1.0400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.1836] _cell_length_b [5.1836] _cell_length_c [10.4933] _cell_angle_alpha [90.0000] _cell_...
Generated_26233
CaYCoO4
data_[Ca2Y2Co2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.8366] _cell_length_b [3.8366...
Generated_32114
NdMgPd2
data_[Nd4Mg4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.9822] _cell_length_b [6.9822] _cell_length_c [6.9822] _c...
Generated_25180
Li3Fe2CoO6
data_[Li6Fe4Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.6890] _cell_length_b [2.8...
Generated_35646
Ho3Pb
data_[Ho3Pb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.9886] _cell_length_b [4.9886] _cell_length_c [4.9886] _cell_angle_alpha [90.0000] _cell_...
Generated_6115
SrLaMn2O6
data_[Sr2La2Mn4O12] 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 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.7168] _cell_length_b [5....
Generated_27604
Sm(FeSi)2
data_[Sm2Fe4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9349] _cell_length_b [3.9349] _cell_length_c [9.6911] _...
Generated_16242
Rb2LiSmCl6
data_[Rb8Li4Sm4Cl24] 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 Sm 1.1700 1.8500 1.2290 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.3025] _cell_length_b [...
Generated_23605
Cs2LiRuF6
data_[Cs8Li4Ru4F24] 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 Ru 2.2000 1.3000 0.6610 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6929] _cell_length_b [8.6...
Generated_32126
Zn3Co
data_[Zn6Co2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8423] _cell_length_b [3.8423] _cell_length_c [8.5600] _cell_angle_alpha [90.0000] _cell...
Generated_31816
Tm2Si5Rh3
data_[Tm8Si20Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [9.8429] _cell_length_b [11.5667] _cell_length_c [5.7844] ...
Generated_41081
MnZn2
data_[Mn4Zn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [9.3700] _cell_length_b [4.9629] _cell_length_c [4.9129] _cell_angle_alpha [90.0000] _cell_a...
Generated_11209
Ca2SmTiO6
data_[Ca4Sm2Ti2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sm 1.1700 1.8500 1.2290 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7139] _cell_length_b [5....
Generated_17440
UGa
data_[U4Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1233] _cell_length_b [10.3399] _cell_length_c [4.2940] _cell_angle_alpha [90.0000] _cell_an...
Generated_27194
CuAu3
data_[Cu2Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.5341] _cell_length_b [3.5341] _cell_length_c [7.2830] _cell_angle_alpha [90.0000] _cell...
Generated_2758
LiCa
data_[Li3Ca3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.3652] _cell_length_b [3.3652] _cell_length_c [17.2557] _cell_angle_alpha [90.0000] _cell_...
Generated_38798
Ce2Ge4Rh3
data_[Ce8Ge20Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ge 2.0100 1.2500 0.7700 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2497] _cell_length_b [11.4907] _cell_length_c [5.9439]...
Generated_31340
FeS2
data_[Fe3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.5420] _cell_length_b [3.5420] _cell_length_c [21.3678] _cell_angle_alpha [90.0000] _cell_an...
Generated_18697
Sr3Mn2O7
data_[Sr6Mn4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9114] _cell_length_b [3.9114] _cell_length_c [20.9246] _...
Generated_32183
CeHg
data_[Ce1Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.7627] _cell_length_b [3.7627] _cell_length_c [3.7627] _cell_angle_alpha [90.0000] _cell_...
Generated_29135
Lu4Ge6Ru7
data_[Lu8Ge12Ru14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Ge 2.0100 1.2500 0.7700 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [8.3423] _cell_length_b [8.3423] _cell_length_c [8.3423] ...
Generated_44018
LiSnAu2
data_[Li4Sn4Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.6827] _cell_length_b [6.6827] _cell_length_c [6.6827] _c...
Generated_11532
SrZn
data_[Sr2Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.6383] _cell_length_b [6.3801] _cell_length_c [4.4059] _cell_angle_alpha [90.0000] _cell_a...
Generated_7460
SrCuSi
data_[Sr2Cu2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.2717] _cell_length_b [4.2717] _cell_length_c [8.7615]...
Generated_21046
Cu3Rh
data_[Cu3Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.8953] _cell_length_b [3.8953] _cell_length_c [3.8953] _cell_angle_alpha [90.0000] _cell_...
Generated_38850
CaAgBi
data_[Ca2Ag2Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.9948] _cell_length_b [4.9948] _cell_length_c [8.6219] _...
Generated_270
LiNd2Pd
data_[Li2Nd4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4310] _cell_length_b [4.4310] _cell_length_c [10.3980] ...
Generated_39517
CeCrAs2
data_[Ce2Cr2As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9195] _cell_length_b [3.9195] _cell_length_c [9.6653] _...
Generated_6211
DySb
data_[Dy4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.2833] _cell_length_b [6.2833] _cell_length_c [6.2833] _cell_angle_alpha [90.0000] _cell_...
Generated_8573
KLaTa2O9
data_[K2La2Ta4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.7519] _cell_length_b [5.5556]...
Generated_21488
Nb3Ga8B
data_[Nb3Ga6B1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.7167] _cell_length_b [4.7167] _cell_length_c [4.7167] _cel...
Generated_9967
Ti2O3
data_[Ti8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [5.4269] _cell_length_b [8.8592] _cell_length_c [8.0878] _cell_angle_alpha [90.0000] _cell_angl...
Generated_25449
SrEuHfSbO6
data_[Sr4Eu4Hf4Sb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Eu 1.2000 1.8500 1.1985 Hf 1.3000 1.5500 0.8500 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [F-43m] _cell_lengt...
Generated_40136
Li2MnPO4
data_[Li4Mn2P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.7574] _cell_length_b [5.7086] _...
Generated_30192
VOF2
data_[V4O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.4722] _cell_length_b [5.7767] _cell_length_c [5.5506] _cell_angle...
Generated_25691
BaSrHfSnO6
data_[Ba4Sr4Hf4Sn4O24] 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 Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [F-43m] _cell_lengt...
Generated_42674
TaMo3
data_[Ta2Mo6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [3.1618] _cell_length_b [4.9563] _cell_length_c [8.8517] _cell_angle_alpha [90.0000] _cell_a...
Generated_37680
Na2In
data_[Na8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2578] _cell_length_b [7.2578] _cell_length_c [7.2578] _cell_angle_alpha [90.0000] _cell_...
Generated_11069
La3SnN
data_[La3Sn1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.1536] _cell_length_b [5.1536] _cell_length_c [5.1536] _cel...
Generated_23087
TiCrO3
data_[Ti4Cr4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.2569] _cell_length_b [7.3094] _cell_length_c [5.1477] _cel...
Generated_26222
HoGa
data_[Ho4Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3826] _cell_length_b [10.4756] _cell_length_c [4.2403] _cell_angle_alpha [90.0000] _cell_...
Generated_38114
Nd(GeAu)2
data_[Nd2Ge4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.3716] _cell_length_b [4.3716] _cell_length_c [10.4631] ...
Generated_9603
Li2YbPb
data_[Li8Yb4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Yb 1.1000 1.7500 1.0840 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.7669] _cell_length_b [6.7669] _cell_length_c [6.7669] _c...
Generated_24308
Ca2CdPb
data_[Ca8Cd4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.7060] _cell_length_b [7.7060] _cell_length_c [7.7060] _c...
Generated_8244
Th(SiRu)2
data_[Th2Si4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1538] _cell_length_b [4.1538] _cell_length_c [9.7813] _...
Generated_15257
NaZnAs
data_[Na4Zn4As4] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.1774] _cell_length_b [4.1774] _cell_length_c [17.5939...
Generated_13039
La2SeO2
data_[La2Se1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0755] _cell_length_b [4.0755] _cell_length_c [6.9234] _cel...
Generated_33065
NdCdRh2
data_[Nd4Cd4Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cd 1.6900 1.5500 1.0900 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.8517] _cell_length_b [6.8517] _cell_length_c [6.8517] _c...
Generated_7271
BaSi
data_[Ba4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.0044] _cell_length_b [10.1363] _cell_length_c [4.0695] _cell_angle_alpha [90.0000] _cell_...
Generated_17690
Li3Cu
data_[Li12Cu4] 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 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.1488] _cell_length_b [6.1488] _cell_length_c [6.1488] _cell_angle_alpha [90.0000] _cell...
Generated_23961
Cs2Rb
data_[Cs2Rb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.8938] _cell_length_b [7.8938] _cell_length_c [8.1629] _cell_angle_alpha [90.0000] _cell_...
Generated_11730
Li2MnCoO4
data_[Li8Mn4Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8195] _cell_length_b [5.99...
Generated_5386
ZnCu
data_[Zn1Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [2.7161] _cell_length_b [2.7161] _cell_length_c [2.7161] _cell_angle_alpha [90.0000] _cell_...
Generated_16832
Sr2CaNbO6
data_[Sr8Ca4Nb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3590] _cell_length_b [8.3...
Generated_18013
Cs2TiCl4
data_[Cs4Ti2Cl8] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0262] _cell_length_b [5.0262] _cell_length_c [15.0244] ...
Generated_34942
Ho2NiGe6
data_[Ho4Ni2Ge12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ni 1.9100 1.3500 0.7400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.1774] _cell_length_b [3.8294] _cell_length_c [21.2176] _...
Generated_35822
MgIn3
data_[Mg1In3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.2762] _cell_length_b [4.2762] _cell_length_c [4.2762] _cell_angle_alpha [90.0000] _cell_...
Generated_35698
Na3LiCr2O8
data_[Na8Li4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.2169] _cell_length_b [5.784...
Generated_40633
LiScGa2
data_[Li4Sc4Ga8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.4015] _cell_length_b [6.4015] _cell_length_c [6.4015] _c...
Generated_1298
Ba2TiCrO6
data_[Ba8Ti4Cr4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2900] _cell_length_b [8.2...
Generated_41615
LiCr2O4
data_[Li8Cr16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.2555] _cell_length_b [8.2555] _cell_length_c [8.2555] _c...
Generated_16531
ErB4
data_[Er4B16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.0033] _cell_length_b [7.0033] _cell_length_c [3.5598] _cell_angle_alpha [90.0000] _cell_...
Generated_39832
Cs2LiNdBr6
data_[Cs8Li4Nd4Br24] 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 Nd 1.1400 1.8500 1.2765 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2357] _cell_length_b [...
Generated_34453
LiLaIr2
data_[Li4La4Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.9140] _cell_length_b [6.9140] _cell_length_c [6.9140] _c...
Generated_40350
LiFeF4
data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.8706] _cell_length_b [8.0508] _cell_length_c [6.4825] _cel...
Generated_34016
Ba3Gd(FeO3)4
data_[Ba3Gd1Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Gd 1.2000 1.8000 1.0750 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.6875] _cell_length_b [7.8221...
Generated_22294
Cu2SnPd
data_[Cu4Sn2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.6210] _cell_length_b [4.6210] _cell_length_c [6.3303]...
Generated_36732
Sr2Fe2O5
data_[Sr8Fe8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0492] _cell_length_b [13.0142] _cell_length_c [10.4889] _c...
Generated_7057
Li2AgBi
data_[Li8Ag4Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.6948] _cell_length_b [6.6948] _cell_length_c [6.6948] _c...
Generated_33911
Li2TiFeO4
data_[Li4Ti2Fe2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.8995] _cell_length_b [5.8383]...
Generated_24350
Pr5Sn3
data_[Pr10Sn6] 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 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [9.7786] _cell_length_b [9.7786] _cell_length_c [6.8052] _cell_angle_alpha [90.0000] _c...
Generated_15312
Th7S6
data_[Th15S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.9619] _cell_length_b [6.9619] _cell_length_c [20.9845] _cell_angle_alpha [90.0000] _cell_a...
Generated_35695
Er2S3
data_[Er8S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.1672] _cell_length_b [3.7467] _cell_length_c [11.1890] _cell_angle_alpha [90.0000] _cell_...
Generated_23565
NaIn2
data_[Na4In8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [4.8945] _cell_length_b [7.8374] _cell_length_c [8.6166] _cell_angle_alpha [90.0000] _cell_a...
Generated_7606
EuZnSi
data_[Eu2Zn2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.3342] _cell_length_b [4.3342] _cell_length_c [8.6962]...
Generated_22749
Y2TeO2
data_[Y4Te2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9911] _cell_length_b [3.9911] _cell_length_c [12.0266] _cel...
Generated_4201
ZnAg3
data_[Zn2Ag6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.0281] _cell_length_b [4.0281] _cell_length_c [8.7569] _cell_angle_alpha [90.0000] _cell...
Generated_19382
LiLa2NiO6
data_[Li2La4Ni2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4713] _cell_length_b [5....
Generated_2347
Sc3Co
data_[Sc12Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.8402] _cell_length_b [9.2413] _cell_length_c [6.2268] _cell_angle_alpha [90.0000] _cell_...
Generated_8306
EuZn
data_[Eu1Zn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.6109] _cell_length_b [3.6109] _cell_length_c [3.6109] _cell_angle_alpha [90.0000] _cell_...
Generated_10242
DyNi
data_[Dy4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5471] _cell_length_b [10.7191] _cell_length_c [4.0128] _cell_angle_alpha [90.0000] _cell_...
Generated_19023
Cs2KSbBr6
data_[Cs8K4Sb4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.8347] _cell_length_b [11...
Generated_39605
Er2PdRu
data_[Er8Ru4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Pd 2.2000 1.4000 0.8462 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.8057] _cell_length_b [6.8057] _cell_length_c [6.8057] _c...
Generated_11013
FeW
data_[Fe2W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.9258] _cell_length_b [4.5835] _cell_length_c [4.2423] _cell_angle_alpha [90.0000] _cell_ang...
Generated_26545
MgH2
data_[Mg8H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.6239] _cell_length_b [5.6239] _cell_length_c [9.4970] _cell_angle_alpha [90.0000] _cel...
Generated_18270
MnCo3
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 [Cmmm] _cell_length_a [2.6413] _cell_length_b [4.9535] _cell_length_c [6.5688] _cell_angle_alpha [90.0000] _cell_a...
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