Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-2109 | CePt2 | data_[Ce8Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7707]
_cell_length_b [7.7707]
_cell_length_c [7.7707]
_cell_angle_alpha [90.0000]
_cell... |
mp-765860 | Fe2CoO4 | data_[Fe8Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Imma]
_cell_length_a [5.8885]
_cell_length_b [5.9148]
_cell_length_c [8.4344]
_cel... |
mp-643069 | Li2HIO | data_[Li8H4I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4919]
_cell_length_b [5.6514]
... |
mp-752894 | Li3Co2(SiO4)2 | data_[Li6Co4Si4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5077]
_cell_length_b [7.5630... |
mp-865445 | Lu2AgAu | data_[Lu8Ag4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0888]
_cell_length_b [7.0888]
_cell_length_c [7.0888]
_c... |
mp-27388 | Ba(SiNi)2 | data_[Ba4Si8Ni8]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5050]
_cell_length_b [5.3594]
_cell_length_c [11.4348]
_c... |
mp-504598 | Rb2PbO2 | data_[Rb8Pb4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7436]
_cell_length_b [8.0004]
_cell_length_c [10.6483]
_cell... |
mp-1167 | CF4 | data_[C4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7225]
_cell_length_b [4.4709]
_cell_length_c [8.7036]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-27678 | Y2Cl3 | data_[Y8Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8343]
_cell_length_b [3.8600]
_cell_length_c [10.3722]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22283 | DyFeO3 | data_[Dy4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6559]
_cell_length_b [7.7131]
_cell_length_c [5.3331]
_cel... |
mp-865517 | YZnRh2 | data_[Y4Zn4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4882]
_cell_length_b [6.4882]
_cell_length_c [6.4882]
_cel... |
mp-5457 | Pr3Co11B4 | data_[Pr3Co11B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1550]
_cell_length_b [5.1550]
_cell_length_c [9.7339]
_c... |
mp-1222313 | LiDyS2 | data_[Li1Dy1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9164]
_cell_length_b [3.9164]
_cell_length_c [5.3264]
_ce... |
mp-1094198 | MgZn2 | data_[Mg4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.1101]
_cell_length_b [4.8350]
_cell_length_c [4.6716]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-510568 | V2O5 | data_[V4O10]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3750]
_cell_length_b [3.6144]
_cell_length_c [7.3031]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-768764 | Li2BiBO5 | data_[Li4Bi2B2O10]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.2980]
_cell_length_b [6.29... |
mp-1227959 | BaCa3 | data_[Ba3Ca9]
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 [R-3m]
_cell_length_a [4.0191]
_cell_length_b [4.0191]
_cell_length_c [39.3682]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095668 | TaFeAs | data_[Ta4Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3041]
_cell_length_b [3.7662]
_cell_length_c [7.1113]
_ce... |
mp-1227327 | CaMn2V4CuO12 | data_[Ca2Mn4V8Cu2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a... |
mp-11404 | PrGa | data_[Pr4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5063]
_cell_length_b [11.4496]
_cell_length_c [4.2053]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865468 | Pm2SiPd | data_[Pm8Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2438]
_cell_length_b [7.2438]
_cell_length_c [7.2438]
_c... |
mp-1007730 | HfAl3 | data_[Hf1Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0936]
_cell_length_b [4.0936]
_cell_length_c [4.0936]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104896 | TlV5S8 | data_[Tl2V10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5736]
_cell_length_b [3.2560]
_cell_length_c [8.5397]
_cel... |
mp-1216068 | Y3HoC8 | data_[Y3Ho1C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6904]
_cell_length_b [3.6904]
_cell_length_c [12.3908]
_cel... |
mp-2424 | LaZn5 | data_[La1Zn5]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4617]
_cell_length_b [5.4617]
_cell_length_c [4.2987]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078630 | Ba2ThCu2S5 | data_[Ba4Th2Cu4S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Th 1.3000 1.8000 1.0800
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 [13.7277]
_cell_length_b [4.1... |
mp-3144 | HoNbO4 | data_[Ho4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [7.1378]
_cell_length_b [11.0746]
_cell_length_c [5.1389]
_ce... |
mp-862820 | PaSi3 | data_[Pa1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1135]
_cell_length_b [4.1135]
_cell_length_c [4.1135]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1519386 | SrEuHfNbO6 | data_[Sr4Eu4Hf4Nb4O24]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-505332 | LaFeSi | data_[La2Fe2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1014]
_cell_length_b [4.1014]
_cell_length_c [7.1798]
_... |
mp-570843 | Tm(GeRh)2 | data_[Tm2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1270]
_cell_length_b [4.1270]
_cell_length_c [10.2907]
... |
mp-3683 | Ho3(CuGe)4 | data_[Ho6Cu8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1837]
_cell_length_b [6.6529]
_cell_length_c [13.8857]
_c... |
mp-5473 | CaMgSi | data_[Ca4Mg4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4784]
_cell_length_b [4.4282]
_cell_length_c [8.3218]
_ce... |
mp-13703 | Al4CO4 | data_[Al16C4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.7861]
_cell_length_b [8.6257]
_cell_length_c [9.1712]
_ce... |
mp-545346 | LiGaAs2O7 | data_[Li2Ga2As4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7499]
_cell_length_b [8.3439... |
mp-1224358 | HfSb4Mo | data_[Hf2Sb8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3983]
_cell_length_b [3.6812]
_cell_length_c [8.4563]
_cel... |
mp-1218558 | Sr4Sn9Au7 | data_[Sr4Sn9Au7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8218]
_cell_length_b [4.8218]
_cell_length_c [22.9528]
_... |
mp-1225544 | ErCoRu | data_[Er4Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1413]
_cell_length_b [5.1418]
_cell_length_c [7.3927]
_ce... |
mp-13978 | Rb2ThF6 | data_[Rb2Th1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Th 1.3000 1.8000 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9621]
_cell_length_b [6.9621]
_cell_length_c [3.8778]
_cel... |
mp-862978 | Er2AgRu | data_[Er8Ag4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9593]
_cell_length_b [6.9593]
_cell_length_c [6.9593]
_c... |
mp-568 | TiSb2 | data_[Ti4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7311]
_cell_length_b [6.7311]
_cell_length_c [5.7911]
_cell_angle_alpha [90.0000]
_cell... |
mp-2457 | Tb2O3 | data_[Tb12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1349]
_cell_length_b [3.5349]
_cell_length_c [8.7174]
_cell_angle_alpha [90.0000]
_cell_... |
mp-6586 | K2NaAlF6 | data_[K8Na4Al4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2535]
_cell_length_b [8.253... |
mp-753712 | YIO | data_[Y2I2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9532]
_cell_length_b [3.9532]
_cell_length_c [9.5898]
_cell_a... |
mp-1347 | Th3P4 | data_[Th12P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.6464]
_cell_length_b [8.6464]
_cell_length_c [8.6464]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7701 | BaSi2 | data_[Ba1Si2]
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 [P6/mmm]
_cell_length_a [4.1864]
_cell_length_b [4.1864]
_cell_length_c [5.0503]
_cell_angle_alpha [90.0000]
_cell... |
mp-998710 | TlHgF3 | data_[Tl1Hg1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6120]
_cell_length_b [4.6182]
_cell_length_c [4.6338]
_cell_a... |
mp-1227262 | Ce2InAg | data_[Ce2In1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7750]
_cell_length_b [3.7750]
_cell_length_c [7.6518]
_... |
mp-1106314 | Th5Bi3 | data_[Th10Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5393]
_cell_length_b [9.5393]
_cell_length_c [6.5611]
_cell_angle_alpha [90.0000]
_c... |
mp-1218055 | Ta7S12 | data_[Ta14S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7666]
_cell_length_b [9.9880]
_cell_length_c [12.7938]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189393 | HoScS3 | data_[Ho4Sc4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.9919]
_cell_length_b [6.3699]
_cell_length_c [9.5392]
_c... |
mp-634 | HgS | data_[Hg3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.4375]
_cell_length_b [4.4375]
_cell_length_c [9.7577]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-972216 | Sr2SmSbO6 | data_[Sr4Sm2Sb2O12]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8905]
_cell_length_b [6.... |
mp-753804 | LiCo2(PO4)2 | data_[Li2Co4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7617]
_cell_length_b [7.7804]
... |
mp-21378 | HoMnGe | data_[Ho4Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0427]
_cell_length_b [4.0948]
_cell_length_c [7.8982]
_ce... |
mp-625830 | Zn(HO)2 | data_[Zn4H8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P2_12_12_1]
_cell_length_a [4.8718]
_cell_length_b [5.0635]
_cell_length_c [8.7523]
_... |
mp-1239 | Sb3Ir | data_[Sb24Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.3946]
_cell_length_b [9.3946]
_cell_length_c [9.3946]
_cell_angle_alpha [90.0000]
_cell_... |
mp-861735 | AcMgTl2 | data_[Ac4Mg4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8600]
_cell_length_b [7.8600]
_cell_length_c [7.8600]
_c... |
mp-1185807 | Mg5Ag | data_[Mg15Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.4134]
_cell_length_b [5.4134]
_cell_length_c [15.0209]
_cell_angle_alpha [90.0000]
_cell_... |
mp-676058 | V3NiS6 | data_[V9Ni3S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6216]
_cell_length_b [5.6216]
_cell_length_c [17.1902]
_cell_... |
mp-1220389 | Nd2Ge3Rh | data_[Nd2Ge3Rh1]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1802]
_cell_length_b [4.3145]
_cell_length_c [7.4042]
_ce... |
mp-3601 | BaUS3 | data_[Ba4U4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4929]
_cell_length_b [10.3960]
_cell_length_c [7.2620]
_cell... |
mp-29504 | ClF | data_[Cl4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5631]
_cell_length_b [3.7394]
_cell_length_c [7.3387]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-778079 | BaYF5 | data_[Ba1Y1F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9067]
_cell_length_b [3.9067]
_cell_length_c [6.7640]
_cell... |
mp-773500 | LiMnCuO4 | data_[Li4Mn4Cu4O16]
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 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7707]
_cell_length_b [5.85... |
mp-1176413 | MnWO4 | data_[Mn2W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8823]
_cell_length_b [3.8823]
_cell_length_c [11.1581]
_cell... |
mp-643718 | BaMgH4 | data_[Ba4Mg4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2000]
_cell_length_b [13.7752]
_cell_length_c [5.7076]
_ce... |
mp-232 | DyRh | data_[Dy1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4302]
_cell_length_b [3.4302]
_cell_length_c [3.4302]
_cell_angle_alpha [90.0000]
_cell_... |
mp-541950 | GaN5O14 | data_[Ga2N10O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.2870]
_cell_length_b [6.1665]
_cell_length_c [9.1708]
_cell_... |
mp-1215523 | YbSm3S4 | data_[Yb3Sm9S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9909]
_cell_length_b [3.9909]
_cell_length_c [39.4573]
_ce... |
mp-2197 | BaHg | data_[Ba1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2216]
_cell_length_b [4.2216]
_cell_length_c [4.2216]
_cell_angle_alpha [90.0000]
_cell_... |
mp-568668 | DyFe2SiC | data_[Dy4Fe8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7498]
_cell_length_b [10.40... |
mp-1114335 | Na2LiCrF6 | data_[Na8Li4Cr4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8245]
_cell_length_b [7.8... |
mp-1078469 | CuPN2 | data_[Cu4P4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.4971]
_cell_length_b [4.4971]
_cell_length_c [7.7369]
_cell_... |
mp-1208554 | TaSiPt | data_[Ta4Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4517]
_cell_length_b [3.8562]
_cell_length_c [7.4290]
_ce... |
mp-36866 | Al2CdO4 | data_[Al16Cd8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4774]
_cell_length_b [8.4774]
_cell_length_c [8.4774]
_c... |
mp-4051 | AlPO4 | data_[Al4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.2422]
_cell_length_b [7.2541]
_cell_length_c [7.1670]
_cel... |
mp-9605 | Hf3Si3Ni2 | data_[Hf12Si12Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8641]
_cell_length_b [9.8498]
_cell_length_c [12.9056]
... |
mp-1181899 | Cd(BrO2)2 | data_[Cd2Br4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.7035]
_cell_length_b [9.5182]
_cell_length_c [7.5951]
_ce... |
mp-1070321 | NdSi3Rh | data_[Nd2Si6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2422]
_cell_length_b [4.2422]
_cell_length_c [9.8990]
_ce... |
mp-626151 | YHO2 | data_[Y2H2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3461]
_cell_length_b [3.6708]
_cell_length_c [6.0494]
_cell_a... |
mp-1026034 | Mo(WS3)2 | data_[Mo1W2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1900]
_cell_length_b [3.1900]
_cell_length_c [29.0987]
_cell_... |
mp-1216656 | U2(AlSn)3 | data_[U2Al3Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4279]
_cell_length_b [4.4718]
_cell_length_c [8.9282]
_cell... |
mp-2880 | LuB2Os3 | data_[Lu1B2Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5197]
_cell_length_b [5.5197]
_cell_length_c [3.0314]
_ce... |
mp-10887 | HfAlCu2 | data_[Hf4Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1979]
_cell_length_b [6.1979]
_cell_length_c [6.1979]
_c... |
mp-753277 | LiAgF2 | data_[Li2Ag2F4]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.1805]
_cell_length_b [6.7415]
_cell_length_c [5.1081]
_ce... |
mp-1114564 | Rb2LiCeI6 | data_[Rb8Li4Ce4I24]
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
Ce 1.1200 1.8500 1.0800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1963]
_cell_length_b [12... |
mp-1025371 | CdPd5Se | data_[Cd1Pd5Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0671]
_cell_length_b [4.0671]
_cell_length_c [7.1638]
_... |
mp-29941 | Sc2C | data_[Sc2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3251]
_cell_length_b [3.3251]
_cell_length_c [5.6683]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1190176 | Ba3Sn2 | data_[Ba12Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4_32_12]
_cell_length_a [6.7264]
_cell_length_b [6.7264]
_cell_length_c [18.1140]
_cell_angle_alpha [90.0000]
_... |
mp-1222608 | Li2SnPd | data_[Li8Sn4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3877]
_cell_length_b [6.3877]
_cell_length_c [6.3877]
_c... |
mp-998916 | KO2 | data_[K4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.2038]
_cell_length_b [6.2038]
_cell_length_c [6.2038]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1315545 | LiCrCoO4 | data_[Li2Cr2Co2O8]
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
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 [5.8121]
_cell_length_b [5.8158... |
mp-1077942 | Rb2TeSe4 | data_[Rb4Te2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2781]
_cell_length_b [8.8219]
_cell_length_c [5.4117]
_c... |
mp-1006068 | Gd2AgRh | data_[Gd8Ag4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1338]
_cell_length_b [7.1338]
_cell_length_c [7.1338]
_c... |
mp-1216193 | Y(Al3Fe)3 | data_[Y2Al18Fe6]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0485]
_cell_length_b [12.5331]
_cell_length_c [6.6946]
_ce... |
mp-28368 | TlAuCl4 | data_[Tl4Au4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5209]
_cell_length_b [5.9394]
_cell_length_c [10.2205]
... |
mp-1214419 | BaCa2Mg(SiO4)2 | data_[Ba1Ca2Mg1Si2O8]
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
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length... |
mp-1218154 | SrLaFeO4 | data_[Sr2La2Fe2O8]
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 [I4mm]
_cell_length_a [3.9372]
_cell_length_b [3.937... |
mp-1216783 | U2Fe3Si | data_[U4Fe6Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1510]
_cell_length_b [5.1510]
_cell_length_c [7.4472]
_... |
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