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1.55k
Generated_40721
V6OF2
data_[V10O2F2] 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 [Imm2] _cell_length_a [4.6366] _cell_length_b [8.7715] _cell_length_c [8.8878] _cell_an...
Generated_11499
Nd2Ni
data_[Nd8Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.9197] _cell_length_b [4.0916] _cell_length_c [8.0999] _cell_angle_alpha [90.0000] _cell_a...
Generated_18431
Sr
data_[Sr4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.4645] _cell_length_b [6.4645] _cell_length_c [6.4645] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_7670
Rb
data_[Rb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.8875] _cell_length_b [5.8875] _cell_length_c [8.5625] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_38820
YAlPd
data_[Y3Al3Pd3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.1491] _cell_length_b [7.1491] _cell_length_c [3.8578] _cel...
Generated_27527
LiNbCoO4
data_[Li4Nb4Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8190] _cell_length_b [5.96...
Generated_42904
Li2CrNiO4
data_[Li8Cr4Ni4O16] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8750] _cell_length_b [5.93...
Generated_7451
BaCa
data_[Ba1Ca1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.5477] _cell_length_b [4.5477] _cell_length_c [7.3172] _cell_angle_alpha [90.0000] _cell_...
Generated_39692
Ca
data_[Ca2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7393] _cell_length_b [3.7393] _cell_length_c [6.8635] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_1688
La
data_[La2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.8170] _cell_length_b [4.8170] _cell_length_c [5.8768] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_34478
K
data_[K2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [5.9168] _cell_length_b [5.9168] _cell_length_c [5.9168] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_g...
Generated_32250
Ce
data_[Ce2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6671] _cell_length_b [3.6671] _cell_length_c [5.0131] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_5508
K2LiTbCl6
data_[K8Li4Tb4Cl24] 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 Tb 1.1000 1.7500 0.9815 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.9493] _cell_length_b [10...
Generated_13624
Mg
data_[Mg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.7911] _cell_length_b [4.7911] _cell_length_c [4.7911] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_28424
Cs2Te
data_[Cs8Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.1052] _cell_length_b [9.1052] _cell_length_c [9.1052] _cell_angle_alpha [90.0000] _cell_...
Generated_25922
Ce(BOs)4
data_[Ce2B8Os8] 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 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [P4_2/n] _cell_length_a [7.6840] _cell_length_b [7.6840] _cell_length_c [4.0634] _ce...
Generated_33755
LiVF4
data_[Li4V4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [I4_1/amd] _cell_length_a [5.1960] _cell_length_b [5.1960] _cell_length_c [10.7432] _...
Generated_33752
Ca2Ag
data_[Ca8Ag4] 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 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0046] _cell_length_b [4.3354] _cell_length_c [9.1363] _cell_angle_alpha [90.0000] _cell_a...
Generated_33430
Na
data_[Na2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6397] _cell_length_b [3.6397] _cell_length_c [5.6320] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_7698
Tb
data_[Tb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5527] _cell_length_b [3.5527] _cell_length_c [11.6361] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_38070
Ba
data_[Ba2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.4023] _cell_length_b [5.4023] _cell_length_c [6.1789] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_27122
TiZn
data_[Ti1Zn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.8367] _cell_length_b [3.8367] _cell_length_c [3.8367] _cell_angle_alpha [90.0000] _cell_...
Generated_773
CaCoSi
data_[Ca2Co2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0545] _cell_length_b [4.0545] _cell_length_c [7.1550] _...
Generated_13143
Eu
data_[Eu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.9356] _cell_length_b [3.9356] _cell_length_c [5.4938] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_42824
Ho3Co
data_[Ho24Co8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.2154] _cell_length_b [9.2744] _cell_length_c [9.8172] _cell_angle_alpha [90.0000] _cell_...
Generated_6328
Sr2SmRuO6
data_[Sr4Sm2Ru2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sm 1.1700 1.8500 1.2290 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8400] _cell_length_b [6....
Generated_27238
U
data_[U4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5547] _cell_length_b [3.5547] _cell_length_c [11.4664] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_ang...
Generated_30697
Ba
data_[Ba4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5680] _cell_length_b [6.5680] _cell_length_c [6.5680] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_31235
YCoGe2
data_[Y4Co4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1082] _cell_length_b [16.3397] _cell_length_c [4.1079] _cel...
Generated_21420
Ce
data_[Ce4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.0005] _cell_length_b [5.0005] _cell_length_c [5.0005] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_33016
NaTiP2
data_[Na2Ti2P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [3.2748] _cell_length_b [5.5502] _cell_length_c [5.6933] _ce...
Generated_11985
LiAg
data_[Li4Ag4] 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 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.3666] _cell_length_b [10.5016] _cell_length_c [4.7860] _cell_angle_alpha [90.0000] _cell_...
Generated_4088
Yb
data_[Yb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.9440] _cell_length_b [4.9440] _cell_length_c [4.9440] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_12820
Zr5Si3
data_[Zr10Si6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [7.6409] _cell_length_b [7.6409] _cell_length_c [5.5515] _cell_angle_alpha [90.0000] _c...
Generated_4561
Cs
data_[Cs4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.1259] _cell_length_b [6.1259] _cell_length_c [10.1730] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_29159
Mn2Si
data_[Mn8Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [6.0873] _cell_length_b [6.0873] _cell_length_c [4.6809] _cell_angle_alpha [90.0000] _cell...
Generated_3672
Tm(SiPt)2
data_[Tm2Si4Pt4] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1693] _cell_length_b [4.1693] _cell_length_c [9.8663] _...
Generated_11408
CsCuO2
data_[Cs8Cu8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.5887] _cell_length_b [8.5887] _cell_length_c [8.5887] _ce...
Generated_55
TiAlIr2
data_[Ti4Al4Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.1344] _cell_length_b [6.1344] _cell_length_c [6.1344] _c...
Generated_13047
LiAl2
data_[Li4Al8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [4.4478] _cell_length_b [6.0488] _cell_length_c [7.6468] _cell_angle_alpha [90.0000] _cell_a...
Generated_25866
Eu
data_[Eu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.0985] _cell_length_b [5.0985] _cell_length_c [5.0985] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_2948
La(BOs)4
data_[La2B8Os8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 B 2.0400 0.8500 0.4100 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [P4_2/n] _cell_length_a [7.6883] _cell_length_b [7.6883] _cell_length_c [4.0005] _ce...
Generated_44317
K3Bi
data_[K12Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.5868] _cell_length_b [9.5868] _cell_length_c [9.5868] _cell_angle_alpha [90.0000] _cell_a...
Generated_16948
Zr
data_[Zr4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2587] _cell_length_b [3.2587] _cell_length_c [12.1846] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_14601
Nd2IrRu
data_[Nd8Ir4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ir 2.2000 1.3500 0.7650 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.0577] _cell_length_b [7.0577] _cell_length_c [7.0577] _c...
Generated_21944
Ce
data_[Ce2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6591] _cell_length_b [3.6591] _cell_length_c [5.6436] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_20878
Ho
data_[Ho2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6494] _cell_length_b [3.6494] _cell_length_c [5.4336] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_7535
Mn3O4
data_[Mn6O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.7623] _cell_length_b [5.7608] _cell_length_c [7.8553] _cell_angle_alpha [89.9386] _cell_angl...
Generated_33949
Li2MnCoO4
data_[Li4Mn2Co2O8] 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 [P-1] _cell_length_a [5.1075] _cell_length_b [5.4591...
Generated_26175
Ca
data_[Ca2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.8837] _cell_length_b [3.8837] _cell_length_c [6.3923] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_37898
LiZn
data_[Li4Zn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.4153] _cell_length_b [9.9713] _cell_length_c [4.6226] _cell_angle_alpha [90.0000] _cell_a...
Generated_15649
Li2Bi
data_[Li4Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3705] _cell_length_b [4.3705] _cell_length_c [9.1144] _cell_angle_alpha [90.0000] _cell...
Generated_19335
Sc2TlHg
data_[Sc8Tl4Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.5812] _cell_length_b [7.5812] _cell_length_c [7.5812] _c...
Generated_8336
Sr2Cu
data_[Sr8Cu4] 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 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.1717] _cell_length_b [5.1849] _cell_length_c [10.1468] _cell_angle_alpha [90.0000] _cell_...
Generated_42916
Sc3Ga8
data_[Sc6Ga16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.2588] _cell_length_b [9.2274] _cell_length_c [10.6765] _cell_angle_alpha [90.0000] _cell...
Generated_22371
Cs
data_[Cs2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.4596] _cell_length_b [6.4596] _cell_length_c [8.3239] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_5565
LiSm2Ir
data_[Li4Sm8Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.9844] _cell_length_b [6.9844] _cell_length_c [6.9844] _c...
Generated_3643
Ca
data_[Ca4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7316] _cell_length_b [3.7316] _cell_length_c [13.2217] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_9238
Nb3Si
data_[Nb6Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pm-3n] _cell_length_a [5.6114] _cell_length_b [5.6114] _cell_length_c [5.6114] _cell_angle_alpha [90.0000] _cell_...
Generated_41785
Lu
data_[Lu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8725] _cell_length_b [4.8725] _cell_length_c [4.8725] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_8459
Tm
data_[Tm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.9368] _cell_length_b [4.9368] _cell_length_c [4.9368] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_18088
La
data_[La4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.8516] _cell_length_b [3.8516] _cell_length_c [11.3131] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_3811
NdCdTe2
data_[Nd3Cd3Te6] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3993] _cell_length_b [4.3993] _cell_length_c [24.2933] _c...
Generated_29522
Rb2MnCuF6
data_[Rb8Mn4Cu4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mn 1.5500 1.4000 0.6483 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6369] _cell_length_b [8.6...
Generated_27798
Li2In
data_[Li8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2824] _cell_length_b [12.8391] _cell_length_c [5.1016] _cell_angle_alpha [90.0000] _cell_...
Generated_38625
Tb
data_[Tb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8539] _cell_length_b [4.8539] _cell_length_c [4.8539] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_14299
SrCaGdSbO6
data_[Sr4Ca4Gd4Sb4O24] 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 Gd 1.2000 1.8000 1.0750 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_14661
Ba3In
data_[Ba12In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3485] _cell_length_b [9.3485] _cell_length_c [9.3485] _cell_angle_alpha [90.0000] _cell...
Generated_3706
Sm
data_[Sm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.0944] _cell_length_b [5.0944] _cell_length_c [5.0944] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_17283
BaNa
data_[Ba4Na4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.7672] _cell_length_b [11.4505] _cell_length_c [5.5010] _cell_angle_alpha [90.0000] _cell_...
Generated_7763
La
data_[La2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.9145] _cell_length_b [3.9145] _cell_length_c [6.2577] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_37142
Zr
data_[Zr8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.1609] _cell_length_b [3.3337] _cell_length_c [7.9576] _cell_angle_alpha [90.0000] _cell_angle_beta [109.0710] _cell_angle...
Generated_4954
Tm
data_[Tm2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5531] _cell_length_b [3.5531] _cell_length_c [5.3866] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_an...
Generated_37607
TbAl
data_[Tb1Al1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.5395] _cell_length_b [3.5395] _cell_length_c [3.5395] _cell_angle_alpha [90.0000] _cell_...
Generated_5212
Cs
data_[Cs4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.4387] _cell_length_b [5.4387] _cell_length_c [10.6742] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_9842
La(GeIr)2
data_[La2Ge4Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2567] _cell_length_b [4.2567] _cell_length_c [10.1097] ...
Generated_44093
Na(LaS2)2
data_[Na4La8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.9847] _cell_length_b [8.9847] _cell_length_c [8.9952] _ce...
Generated_42645
Eu
data_[Eu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.9106] _cell_length_b [3.9106] _cell_length_c [12.6031] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_35211
K
data_[K8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.6108] _cell_length_b [7.2011] _cell_length_c [6.2188] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_g...
Generated_18288
BaSmFeRuO6
data_[Ba2Sm2Fe2Ru2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sm 1.1700 1.8500 1.2290 Fe 1.8300 1.4000 0.8525 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...
Generated_2446
La
data_[La4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.1120] _cell_length_b [5.1120] _cell_length_c [5.1120] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_27617
Na
data_[Na16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [6.1569] _cell_length_b [6.0021] _cell_length_c [11.8992] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...
Generated_4474
TiAlRh2
data_[Ti4Al4Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.1805] _cell_length_b [6.1805] _cell_length_c [6.1805] _c...
Generated_28279
Li2MnFeO4
data_[Li4Mn2Fe2O8] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.6263] _cell_length_b [5.6348]...
Generated_3895
MnCo
data_[Mn4Co4] 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 [Cmcm] _cell_length_a [2.8380] _cell_length_b [9.7380] _cell_length_c [4.0805] _cell_angle_alpha [90.0000] _cell_a...
Generated_9299
Mn5FeSb3
data_[Mn10Fe2Sb6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [8.8332] _cell_length_b [8.8332] _cell_length_c [5.8681...
Generated_498
Y5Ir2
data_[Y20Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.1247] _cell_length_b [6.6545] _cell_length_c [7.4275] _cell_angle_alpha [90.0000] _cell_a...
Generated_25851
Ba
data_[Ba4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.1260] _cell_length_b [13.5295] _cell_length_c [6.6356] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_4242
Rb2NaScCl6
data_[Rb8Na4Sc4Cl24] 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 Sc 1.3600 1.6000 0.8850 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.7853] _cell_length_b [...
Generated_24192
Ba
data_[Ba4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.2139] _cell_length_b [6.2139] _cell_length_c [10.1690] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_19888
Rb2LiGdF6
data_[Rb8Li4Gd4F24] 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 Gd 1.2000 1.8000 1.0750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6953] _cell_length_b [8.6...
Generated_44234
Ca
data_[Ca4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.9964] _cell_length_b [3.9964] _cell_length_c [11.2102] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...
Generated_8850
Li2FeF4
data_[Li4Fe2F8] 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 [I4/mmm] _cell_length_a [4.0421] _cell_length_b [4.0421] _cell_length_c [8.4478] _ce...
Generated_11097
CaAl
data_[Ca1Al1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.7576] _cell_length_b [3.7576] _cell_length_c [3.7576] _cell_angle_alpha [90.0000] _cell_...
Generated_20099
Dy(MnSi)2
data_[Dy2Mn4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9179] _cell_length_b [3.9179] _cell_length_c [9.5598] _...
Generated_32920
Sr2ZrNbO6
data_[Sr8Zr4Nb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [Fm-3m] _cell_length_a [8.1503] _cell_length_b [8.1...
Generated_38697
Nb2Fe
data_[Nb4Fe2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9921] _cell_length_b [3.9921] _cell_length_c [9.6590] _cell_angle_alpha [90.0000] _cell...
Generated_16871
Nd
data_[Nd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.2376] _cell_length_b [5.2376] _cell_length_c [5.2376] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...
Generated_15511
Mg4MnCo
data_[Mg6Mn6Co2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.8264] _cell_length_b [4.0199] _cell_length_c [10.2962] _c...
Generated_19270
Tb(Al2Fe)4
data_[Tb2Al16Fe8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.7069] _cell_length_b [8.7069] _cell_length_c [5.0740] ...
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