Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1023511 | SrMg15 | data_[Sr1Mg15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.6095]
_cell_length_b [6.6095]
_cell_length_c [10.4229]
_cell_angle_alpha [90.0000]
_cel... |
mp-1225174 | Fe(CoSe2)2 | data_[Fe2Co4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9221]
_cell_length_b [3.5345]
_cell_length_c [6.1291]
_cel... |
mp-1222067 | Mn4Cr(Co2Ge)5 | data_[Mn12Cr3Co30Ge15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0662]
_cell_length_b [... |
mp-1183856 | DyEr3 | data_[Dy2Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1774]
_cell_length_b [7.1774]
_cell_length_c [5.6126]
_cell_angle_alpha [90.0000]
_ce... |
mp-1207383 | Zr5(ZnSi)4 | data_[Zr10Zn8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.8439]
_cell_length_b [10.8439]
_cell_length_c [3.8370]
... |
mp-1186452 | Pm2CuAu | data_[Pm8Cu4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2827]
_cell_length_b [7.2827]
_cell_length_c [7.2827]
_c... |
mp-1209140 | RbGa(SeO4)2 | data_[Rb1Ga1Se2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [5.1496]
_cell_length_b [5.149... |
mp-5678 | ErB2Rh3 | data_[Er1B2Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4258]
_cell_length_b [5.4258]
_cell_length_c [3.1216]
_ce... |
mp-1222060 | MgAlAg | data_[Mg8Al8Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7360]
_cell_length_b [5.5436]
_cell_length_c [9.2562]
_ce... |
mp-1212954 | Er2NiRuO6 | data_[Er4Ni2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
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 [5.2747]
_cell_length_b [5.... |
mp-228 | Te2Rh | data_[Te2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9624]
_cell_length_b [3.9624]
_cell_length_c [5.5158]
_cell_angle_alpha [90.0000]
_cell_... |
mp-19880 | FeTe2 | data_[Fe2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.2600]
_cell_length_b [6.2587]
_cell_length_c [3.8960]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104161 | Dy3Zn11 | data_[Dy6Zn22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4389]
_cell_length_b [8.8282]
_cell_length_c [12.9431]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105818 | Nb5Ge3B | data_[Nb10Ge6B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.7800]
_cell_length_b [7.7800]
_cell_length_c [5.3718]
... |
mp-759978 | LiCo7O7F | data_[Li1Co7O7F1]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2903]
_cell_length_b [3.2903]... |
mp-558332 | K5Au(IO)2 | data_[K10Au2I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3478]
_cell_length_b [14.2607]... |
mp-1029251 | LiRuN | data_[Li4Ru4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.7260]
_cell_length_b [2.9531]
_cell_length_c [4.7476]
_cell... |
mp-1224987 | Fe4Te3Se | data_[Fe8Te6Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.1377]
_cell_length_b [5.1377]
_cell_length_c [12.9603]
_c... |
mp-1516906 | NaPrEuWO6 | data_[Na2Pr2Eu2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [... |
mp-28921 | Tl5Se2Br | data_[Tl20Se8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7988]
_cell_length_b [8.7988]
_cell_length_c [13.4745]... |
mp-1183785 | CoNi3 | data_[Co2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9909]
_cell_length_b [4.9909]
_cell_length_c [4.0689]
_cell_angle_alpha [90.0000]
_ce... |
mp-1185478 | Lu3In | data_[Lu6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7550]
_cell_length_b [6.7550]
_cell_length_c [5.4712]
_cell_angle_alpha [90.0000]
_ce... |
mp-989608 | Cs2NaAsCl6 | data_[Cs8Na4As4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6918]
_cell_length_b [... |
mp-1105860 | Fe2NiB | data_[Fe8Ni4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3330]
_cell_length_b [6.6185]
_cell_length_c [4.4035]
_cell... |
mp-2460 | Er2O3 | data_[Er12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9475]
_cell_length_b [3.4604]
_cell_length_c [8.5652]
_cell_angle_alpha [90.0000]
_cell_... |
mp-5745 | Nb2CS2 | data_[Nb2C1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2900]
_cell_length_b [3.2900]
_cell_length_c [9.3291]
_cell_... |
mp-1189958 | TbAl3 | data_[Tb15Al45]
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 [R-3m]
_cell_length_a [6.1436]
_cell_length_b [6.1436]
_cell_length_c [36.0032]
_cell_angle_alpha [90.0000]
_cel... |
mp-1024954 | HoCuSn | data_[Ho2Cu2Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5209]
_cell_length_b [4.5209]
_cell_length_c [7.2197]
_... |
mp-22544 | UV2O6 | data_[U1V2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.1275]
_cell_length_b [5.1275]
_cell_length_c [4.7038]
_cell_an... |
mp-25417 | LiTiO2 | data_[Li3Ti3O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9164]
_cell_length_b [2.9164]
_cell_length_c [15.0354]
_cel... |
mp-1093995 | ZnAg2SnSe4 | data_[Zn2Ag4Sn2Se8]
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
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.9165]
_cell_length_b [5.... |
mp-27436 | PaCl5 | data_[Pa4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5701]
_cell_length_b [12.1802]
_cell_length_c [8.4769]
_cell_angle_alpha [90.0000]
_cell... |
mp-23252 | Ce4Bi3 | data_[Ce16Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.7141]
_cell_length_b [9.7141]
_cell_length_c [9.7141]
_cell_angle_alpha [90.0000]
_cel... |
mp-569 | NdCo5 | data_[Nd1Co5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0174]
_cell_length_b [5.0174]
_cell_length_c [3.9417]
_cell_angle_alpha [90.0000]
_cell... |
mp-1029699 | Cs2CN2 | data_[Cs6C3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8669]
_cell_length_b [6.0844]
_cell_length_c [12.9851]
_cell_a... |
mp-982739 | TmHfCo2 | data_[Tm4Hf4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4342]
_cell_length_b [6.4342]
_cell_length_c [6.4342]
_c... |
mp-1227488 | Ca(BiAu3)2 | data_[Ca2Bi4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.7027]
_cell_length_b [5.7027]
_cell_length_c [14.0713]
_... |
mp-1188258 | Tb3Ge3Ru2 | data_[Tb12Ge12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3090]
_cell_length_b [10.9174]
_cell_length_c [14.0554]... |
mp-1207972 | U2Ti3Ge4 | data_[U4Ti6Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1174]
_cell_length_b [7.1274]
_cell_length_c [7.0195]
_ce... |
mp-19887 | Nb(FeGe)6 | data_[Nb1Fe6Ge6]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0350]
_cell_length_b [5.0350]
_cell_length_c [8.0829]
_... |
mp-753059 | TiOF | data_[Ti2O2F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.0548]
_cell_length_b [4.0353]
_cell_length_c [6.5060]
_cell_a... |
mp-19082 | TiMnO3 | data_[Ti6Mn6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1890]
_cell_length_b [5.1890]
_cell_length_c [14.4289]
_cel... |
mp-865538 | Ti2RePd | data_[Ti8Re4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2771]
_cell_length_b [6.2771]
_cell_length_c [6.2771]
_c... |
mp-22029 | MnNi2Ge | data_[Mn4Ni8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7993]
_cell_length_b [5.7993]
_cell_length_c [5.7993]
_c... |
mp-1063174 | GdAu2 | data_[Gd2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7962]
_cell_length_b [3.7962]
_cell_length_c [9.1209]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218815 | Sr2GdMnCrO7 | data_[Sr4Gd2Mn2Cr2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length... |
mp-768633 | Sr2LaCl7 | data_[Sr4La2Cl14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9659]
_cell_length_b [10.6005]
_cell_length_c [8.4518]... |
mp-752837 | LiAgF3 | data_[Li4Ag4F12]
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 [P2_1/c]
_cell_length_a [5.4942]
_cell_length_b [5.6404]
_cell_length_c [9.8136]
_c... |
mp-1080775 | PrInNi2 | data_[Pr2In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.2080]
_cell_length_b [4.0767]
_cell_length_c [7.2091]
_ce... |
mp-1185224 | LiCe2Os | data_[Li4Ce8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0253]
_cell_length_b [7.0253]
_cell_length_c [7.0253]
_c... |
mp-21504 | V4GaSe8 | data_[V16Ga4Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.2417]
_cell_length_b [10.2417]
_cell_length_c [10.2417]... |
mp-1009504 | EuZnGe | data_[Eu1Zn1Ge1]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2956]
_cell_length_b [4.2956]
_cell_length_c [4.4634]
_c... |
mp-1094043 | Ti5InS8 | data_[Ti10In2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8916]
_cell_length_b [3.4097]
_cell_length_c [8.8732]
_c... |
mp-1206685 | NdNiAs | data_[Nd1Ni1As1]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1462]
_cell_length_b [4.1462]
_cell_length_c [4.0295]
_c... |
mp-862938 | PmMgHg2 | data_[Pm4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3089]
_cell_length_b [7.3089]
_cell_length_c [7.3089]
_c... |
mp-19878 | YbMnGe | data_[Yb4Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1954]
_cell_length_b [4.2366]
_cell_length_c [7.6183]
_ce... |
mp-2228 | ErMg | data_[Er1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7626]
_cell_length_b [3.7626]
_cell_length_c [3.7626]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1245983 | LiSnN | data_[Li2Sn2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.2767]
_cell_length_b [3.2767]
_cell_length_c [10.0457]
_c... |
mp-1215284 | ZrCrCuS4 | data_[Zr4Cr4Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2150]
_cell_length_b [7.25... |
mp-1079673 | ThSe3 | data_[Th2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8155]
_cell_length_b [4.2624]
_cell_length_c [10.0214]
_cell_angle_alpha [90.0000]
_cel... |
mp-1217857 | Tb12FeCoBi4 | data_[Tb12Fe1Co1Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.3820]
_cell_length_b [4.15... |
mp-1179443 | SiSe2 | data_[Si4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.2631]
_cell_length_b [9.3913]
_cell_length_c [5.9319]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1079721 | SrMnSb2 | data_[Sr2Mn2Sb4]
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 0.8775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4170]
_cell_length_b [4.4170]
_cell_length_c [11.7201]
... |
mp-540803 | Sr3(LiSb)4 | data_[Sr6Li8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8518]
_cell_length_b [7.5455]
_cell_length_c [15.8988]
_c... |
mp-1222723 | LaUO4 | data_[La3U3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9356]
_cell_length_b [3.9356]
_cell_length_c [18.8624]
_cell... |
mp-1007922 | CuI | data_[Cu4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4718]
_cell_length_b [7.3873]
_cell_length_c [4.3574]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-560563 | K3(PdO2)2 | data_[K12Pd8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2274]
_cell_length_b [9.3230]
_cell_length_c [11.5551]
_cel... |
mp-1211349 | KSc(WO4)2 | data_[K1Sc1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9334]
_cell_length_b [5.9334]
... |
mp-14294 | Ba2YbSbO6 | data_[Ba8Yb4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Yb 1.1000 1.7500 1.0840
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5510]
_cell_length_b [8.5... |
mp-21370 | Ba2EuSbO6 | data_[Ba8Eu4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6212]
_cell_length_b [8.6... |
mp-1206554 | Tb2MgNi2 | data_[Tb4Mg2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2849]
_cell_length_b [7.2849]
_cell_length_c [3.7654]
_... |
mp-1218489 | Sr3Y(CoO4)2 | data_[Sr6Y2Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [Amm2]
_cell_length_a [5.3731]
_cell_length_b [5.4113... |
mp-1185761 | Mg2CdPd | data_[Mg8Cd4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6403]
_cell_length_b [6.6403]
_cell_length_c [6.6403]
_c... |
mp-867797 | RbTl3 | data_[Rb2Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.3374]
_cell_length_b [8.3374]
_cell_length_c [5.3903]
_cell_angle_alpha [90.0000]
_ce... |
mp-1078473 | MnCO3 | data_[Mn2C2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8514]
_cell_length_b [4.8673]
_cell_length_c [6.2000]
_cell_an... |
mp-867897 | ScTaRu2 | data_[Sc4Ta4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3697]
_cell_length_b [6.3697]
_cell_length_c [6.3697]
_c... |
mp-556489 | Ta2SnO6 | data_[Ta8Sn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [17.4327]
_cell_length_b [4.9232]
_cell_length_c [5.6219]
_cell... |
mp-1518051 | BaSrCeSbO6 | data_[Ba2Sr2Ce2Sb2O12]
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
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-606511 | La(GePt)2 | data_[La4Ge8Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9320]
_cell_length_b [4.4875]
_cell_length_c [8.9469]
_... |
mp-1187687 | YbEuPt2 | data_[Yb4Eu4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0422]
_cell_length_b [7.0422]
_cell_length_c [7.0422]
_c... |
mp-1018081 | CrFe3 | data_[Cr1Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5640]
_cell_length_b [3.5640]
_cell_length_c [3.5640]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8468 | Sr(SbPd)2 | data_[Sr2Sb4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7150]
_cell_length_b [4.7150]
_cell_length_c [10.7967]
... |
mp-573316 | CsPt2Se3 | data_[Cs6Pt12Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5676]
_cell_length_b [7.5676]
_cell_length_c [21.8554]
... |
mp-22295 | Ca(Cu2P)2 | data_[Ca2Cu8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2795]
_cell_length_b [7.2795]
_cell_length_c [3.7981]
_... |
mp-33554 | Na3GdCl6 | data_[Na9Gd3Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Gd 1.2000 1.8000 1.0750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1305]
_cell_length_b [7.1305]
_cell_length_c [19.0423]
_c... |
mp-865531 | TiMn2Al | data_[Ti4Mn8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9604]
_cell_length_b [5.9604]
_cell_length_c [5.9604]
_c... |
mp-757216 | Li3MnFe3O8 | data_[Li9Mn3Fe9O24]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9465]
_cell_length_b [5.94... |
mp-558990 | K2Sr(PO3)4 | data_[K4Sr2P8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.5663]
_cell_length_b [7.5663]
_... |
mp-1209829 | NdBPt4 | data_[Nd2B2Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4889]
_cell_length_b [5.4889]
_cell_length_c [7.7601]
_ce... |
mp-1281333 | CrO2 | data_[Cr2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [4.4713]
_cell_length_b [4.4713]
_cell_length_c [2.9952]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20854 | NiPbF6 | data_[Ni3Pb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2528]
_cell_length_b [5.2528]
_cell_length_c [14.3337]
_cel... |
mp-1187105 | Sr3Ca | data_[Sr3Ca1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8792]
_cell_length_b [5.8792]
_cell_length_c [5.8792]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189974 | LiLa(CN2)2 | data_[Li2La2C4N8]
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
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4633]
_cell_length_b [3.811... |
mp-767706 | LiV2F7 | data_[Li2V4F14]
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 [P-1]
_cell_length_a [5.4336]
_cell_length_b [6.9261]
_cell_length_c [8.5254]
_cell_a... |
mp-21441 | CeSiIr | data_[Ce4Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.3341]
_cell_length_b [6.3341]
_cell_length_c [6.3341]
_c... |
mp-759724 | Li3MnF7 | data_[Li9Mn3F21]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1174]
_cell_length_b [6.1174]
_cell_length_c [13.5885]
_cel... |
mp-1225176 | DyV2(FeCo)5 | data_[Dy2V4Fe10Co10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6541]
_cell_length_b [8.3... |
mp-1227439 | Bi4(TeSe)3 | data_[Bi8Te6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [20.8581]
_cell_length_b [4.3130]
_cell_length_c [7.4700]
_cel... |
mp-3106 | Np(SiRu)2 | data_[Np2Si4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
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 [4.1627]
_cell_length_b [4.1627]
_cell_length_c [9.6209]
_... |
mp-10721 | Ti2C | data_[Ti32C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6391]
_cell_length_b [8.6391]
_cell_length_c [8.6391]
_cell_angle_alpha [90.0000]
_cell_... |
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