Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1078343 | UGa5Ru | data_[U1Ga5Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3208]
_cell_length_b [4.3208]
_cell_length_c [6.7232]
_ce... |
mp-5197 | ErB2Ir3 | data_[Er1B2Ir3]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4635]
_cell_length_b [5.4635]
_cell_length_c [3.1361]
_ce... |
mp-1188601 | TbB2Ru | data_[Tb4B8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9396]
_cell_length_b [5.3517]
_cell_length_c [6.3703]
_cell... |
mp-1222891 | LaEuB12 | data_[La4Eu4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3130]
_cell_length_b [8.3130]
_cell_length_c [8.3130]
_ce... |
mp-1228128 | Ba3SrSn12 | data_[Ba3Sr1Sn12]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.3410]
_cell_length_b [7.3541]
_cell_length_c [12.9805]
_... |
mp-1178133 | KSmO2 | data_[K3Sm3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5797]
_cell_length_b [3.5797]
_cell_length_c [18.9081]
_cell_... |
mp-1179980 | NdCu(WO4)2 | data_[Nd1Cu1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1492]
_cell_length_b [6.0995]
_... |
mp-16522 | Al2Pd | data_[Al8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9445]
_cell_length_b [5.9445]
_cell_length_c [5.9445]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186785 | PrEuZn2 | data_[Pr4Eu4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4225]
_cell_length_b [7.4225]
_cell_length_c [7.4225]
_c... |
mp-32244 | LiNbWO6 | data_[Li2Nb2W2O12]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [4.7754]
_cell_length_b [4.7... |
mp-675857 | Cd2SnO4 | data_[Cd8Sn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.5618]
_cell_length_b [6.5851]
_cell_length_c [9.5344]
_cel... |
mp-1206187 | Rb2LiRhCl6 | data_[Rb2Li1Rh1Cl6]
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
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1251]
_cell_length_b [7.... |
mp-1228437 | Ba2LaMn2O7 | data_[Ba4La2Mn4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0078]
_cell_length_b [4.... |
mp-1094702 | Ca5Mg | data_[Ca5Mg1]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5367]
_cell_length_b [6.5367]
_cell_length_c [6.1652]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1099077 | Mg14GaNi | data_[Mg28Ga2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.9262]
_cell_length_b [6.2562]
_cell_length_c [10.7398]
_... |
mp-1206690 | Rb2NaSmF6 | data_[Rb8Na4Sm4F24]
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
Sm 1.1700 1.8500 1.2290
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1227]
_cell_length_b [9.1... |
mp-1226538 | CeZn2Ni3 | data_[Ce1Zn2Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1933]
_cell_length_b [5.1933]
_cell_length_c [3.9009]
_... |
mp-1065846 | ZrBr | data_[Zr4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1000]
_cell_length_b [3.5490]
_cell_length_c [10.1135]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095656 | LuAsSe | data_[Lu4As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.2452]
_cell_length_b [3.8611]
_cell_length_c [3.8670]
_c... |
mp-862288 | AlFe2W | data_[Al4Fe8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8692]
_cell_length_b [5.8692]
_cell_length_c [5.8692]
_cel... |
mp-1305896 | Co2OF3 | data_[Co8O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [C2/m]
_cell_length_a [6.4990]
_cell_length_b [6.8502]
_cell_length_c [6.1130]
_cell_... |
mp-863400 | VF4 | data_[V4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9224]
_cell_length_b [5.1040]
_cell_length_c [9.6958]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-696746 | B4C | data_[B36C9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6459]
_cell_length_b [5.6459]
_cell_length_c [12.0946]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-4903 | Tm(CuSi)2 | data_[Tm2Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9301]
_cell_length_b [3.9301]
_cell_length_c [10.0005]
... |
mp-1217681 | Tb2Pr | data_[Tb6Pr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6232]
_cell_length_b [3.6232]
_cell_length_c [26.5694]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-12060 | Nd(AsPd)2 | data_[Nd2As4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2988]
_cell_length_b [4.2988]
_cell_length_c [10.5643]
... |
mp-30086 | GeCl4 | data_[Ge4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.5837]
_cell_length_b [7.0282]
_cell_length_c [10.6745]
_cell_angle_alpha [90.0000]
_c... |
mp-1224388 | Hf3N2 | data_[Hf9N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2192]
_cell_length_b [3.2192]
_cell_length_c [23.3628]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-23335 | Ti3(BiO3)4 | data_[Ti6Bi8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8381]
_cell_length_b [3.8381]
_cell_length_c [33.2418]
_... |
mp-1220377 | Nb6SnGe | data_[Nb6Sn1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.2577]
_cell_length_b [5.2577]
_cell_length_c [5.2577]
_ce... |
mp-9270 | SbIrS | data_[Sb4Ir4S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.1116]
_cell_length_b [6.0985]
_cell_length_c [6.1117]
_ce... |
mp-1120767 | NaCl | data_[Na2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9258]
_cell_length_b [3.9258]
_cell_length_c [7.0948]
_cell_angle_alpha [90.0000]
_ce... |
mp-27333 | Tl3CoCl5 | data_[Tl12Co4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5897]
_cell_length_b [8.5897]
_cell_length_c [14.5723... |
mp-1226114 | Eu2(ZrSe2)5 | data_[Eu2Zr5Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5209]
_cell_length_b [8.3429]
_cell_length_c [10.0288]
_c... |
mp-567386 | Cs2Cd3Te4 | data_[Cs8Cd12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.8890]
_cell_length_b [13.4341]
_cell_length_c [15.7854]... |
mp-9517 | SrTiN2 | data_[Sr2Ti2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9016]
_cell_length_b [3.9016]
_cell_length_c [7.7609]
_ce... |
mvc-10340 | CaHo(MoO3)2 | data_[Ca2Ho2Mo4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.4792]
_cell_length_b [5.7915... |
mp-1227126 | CaYMn2O6 | data_[Ca2Y2Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5773]
_cell_length_b [5.55... |
mp-976259 | LiTmRh2 | data_[Li4Tm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3724]
_cell_length_b [6.3724]
_cell_length_c [6.3724]
_c... |
mp-21349 | PuGa3 | data_[Pu2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1177]
_cell_length_b [6.1177]
_cell_length_c [4.6065]
_cell_angle_alpha [90.0000]
_ce... |
mp-752699 | 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 [Cmmm]
_cell_length_a [7.8637]
_cell_length_b [10.4442]
_cell_length_c [3.2035]
_ce... |
mp-1187628 | TmZrCo2 | data_[Tm4Zr4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4663]
_cell_length_b [6.4663]
_cell_length_c [6.4663]
_c... |
mp-1183321 | BaSr2Ca | data_[Ba4Sr8Ca4]
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
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.4283]
_cell_length_b [9.4283]
_cell_length_c [9.4283]
_c... |
mp-36088 | La5SmS8 | data_[La10Sm2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6998]
_cell_length_b [8.6998]
_cell_length_c [8.7038]
_cel... |
mp-1871 | Fe2C | data_[Fe4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.2816]
_cell_length_b [4.7135]
_cell_length_c [2.8235]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-998971 | TiFeCoSi | data_[Ti4Fe4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7244]
_cell_length_b [5.... |
mp-19769 | Tb3InN | data_[Tb3In1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8484]
_cell_length_b [4.8484]
_cell_length_c [4.8484]
_cel... |
mp-1222920 | LaCeAl4 | data_[La4Ce4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0281]
_cell_length_b [8.0281]
_cell_length_c [8.0281]
_... |
mp-972002 | Ac3Yb | data_[Ac6Yb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.9513]
_cell_length_b [7.9513]
_cell_length_c [6.3975]
_cell_angle_alpha [90.0000]
_ce... |
mp-16433 | Ca2Ga2O5 | data_[Ca8Ga8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.7060]
_cell_length_b [5.6492]
_cell_length_c [5.4308]
_ce... |
mp-10344 | Ba2PrNbO6 | data_[Ba4Pr2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1816]
_cell_length_b [6.... |
mp-1103976 | Ho(Al2Cr)4 | data_[Ho2Al16Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.9072]
_cell_length_b [8.9072]
_cell_length_c [5.0628]
... |
mp-1102902 | Pr2Ni5B4 | data_[Pr4Ni10B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8380]
_cell_length_b [5.1312]
_cell_length_c [6.8142]
_cel... |
mp-1220452 | NbCu3(SeS)2 | data_[Nb2Cu6Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [7.8384]
_cell_length_b [8.052... |
mp-1217983 | TaCo6Mo | data_[Ta1Co6Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1765]
_cell_length_b [5.1765]
_cell_length_c [4.1488]
_c... |
mp-1185765 | Mg2IrAu | data_[Mg8Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3989]
_cell_length_b [6.3989]
_cell_length_c [6.3989]
_c... |
mp-862882 | CaPmAu2 | data_[Ca4Pm4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3284]
_cell_length_b [7.3284]
_cell_length_c [7.3284]
_c... |
mp-1225457 | Eu2GaAg3 | data_[Eu4Ga2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9488]
_cell_length_b [4.8295]
_cell_length_c [7.5667]
_cel... |
mp-752602 | BiBr3 | data_[Bi4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5314]
_cell_length_b [12.7294]
_cell_length_c [7.4215]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225624 | Eu2MgGa3 | data_[Eu4Mg2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9440]
_cell_length_b [4.7098]
_cell_length_c [7.6533]
_cel... |
mp-1285209 | Li2TiFeO4 | data_[Li2Ti1Fe1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0095]
_cell_length_b [4.3090]... |
mp-11230 | Y2Al | data_[Y8Al4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6068]
_cell_length_b [5.1150]
_cell_length_c [9.4911]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-510503 | Nd5Sn3 | data_[Nd10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3090]
_cell_length_b [9.3090]
_cell_length_c [6.8589]
_cell_angle_alpha [90.0000]
_c... |
mp-843 | Th2Fe17 | data_[Th6Fe51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5155]
_cell_length_b [8.5155]
_cell_length_c [12.5539]
_cell_angle_alpha [90.0000]
_cell... |
mp-861616 | LiSc2Ir | data_[Li4Sc8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5510]
_cell_length_b [6.5510]
_cell_length_c [6.5510]
_c... |
mp-1186967 | Sc3Hg | data_[Sc3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4784]
_cell_length_b [4.4784]
_cell_length_c [4.4784]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1522021 | SrEuHfVO6 | data_[Sr4Eu4Hf4V4O24]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1208011 | TlSbCl6 | data_[Tl4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2268]
_cell_length_b [6.5701]
_cell_length_c [12.4219]
... |
mp-1224109 | K2U2O7 | data_[K2U2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9876]
_cell_length_b [4.0351]
_cell_length_c [7.1825]
_cell_angle... |
mp-1102915 | Mg2Pb | data_[Mg8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7811]
_cell_length_b [4.5191]
_cell_length_c [8.7555]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-10485 | BaLiSb | data_[Ba2Li2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9423]
_cell_length_b [4.9423]
_cell_length_c [9.2005]... |
mp-547017 | LiAlAs2O7 | data_[Li2Al2As4O14]
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
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6846]
_cell_length_b [8.1444... |
mp-1222015 | MgCdAu2 | data_[Mg1Cd1Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2149]
_cell_length_b [3.2149]
_cell_length_c [7.3237]
_... |
mp-755627 | Na2FeO3 | data_[Na8Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.3468]
_cell_length_b [6.1503]
_cell_length_c [5.1003]
_... |
mp-36515 | Pr2USe4 | data_[Pr8U4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.9145]
_cell_length_b [8.9145]
_cell_length_c [8.8708]
_ce... |
mp-2337 | HfCo2 | data_[Hf8Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.8799]
_cell_length_b [6.8799]
_cell_length_c [6.8799]
_cell_angle_alpha [90.0000]
_cell... |
mp-1114531 | K2RbBiCl6 | data_[K8Rb4Bi4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6230]
_cell_length_b [11... |
mp-542437 | Gd2Zn17 | data_[Gd6Zn51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0034]
_cell_length_b [9.0034]
_cell_length_c [13.2471]
_cell_angle_alpha [90.0000]
_cell... |
mp-753902 | LiFeBO3 | data_[Li2Fe2B2O6]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1544]
_cell_length_b [5.2372]
... |
mp-10555 | Ba2LiReN4 | data_[Ba4Li2Re2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5905]
_cell_length_b [6.0... |
mp-8181 | Li2CeN2 | data_[Li2Ce1N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5913]
_cell_length_b [3.5913]
_cell_length_c [5.4716]
_cel... |
mp-1225929 | CsBa2Co2F9 | data_[Cs3Ba6Co6F27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.0064]
_cell_length_b [6.006... |
mp-1226806 | CdGa4As4Se | data_[Cd3Ga12As12Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1129]
_cell_length_b [4.... |
mp-1218000 | Ta4C3 | data_[Ta12C9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1351]
_cell_length_b [3.1351]
_cell_length_c [30.7630]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-20230 | PuOF | data_[Pu2O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9669]
_cell_length_b [3.9669]
_cell_length_c [5.7344]
_cell... |
mp-1176628 | LiMnF4 | data_[Li2Mn2F8]
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 [P2/c]
_cell_length_a [4.6408]
_cell_length_b [5.5549]
_cell_length_c [5.3378]
_cell... |
mp-756400 | NdBiO4 | data_[Nd4Bi4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4479]
_cell_length_b [11.5286]
_cell_length_c [5.3857]
_ce... |
mp-1205563 | Ho2MgCu2 | data_[Ho4Mg2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6823]
_cell_length_b [7.6823]
_cell_length_c [3.6179]
_... |
mp-11014 | K2TeOF4 | data_[K8Te4O4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.4377]
_cell_length_b [14.2951]... |
mp-7088 | Ta2C | data_[Ta2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.1251]
_cell_length_b [3.1251]
_cell_length_c [4.9708]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1215307 | ZrAlMo | data_[Zr8Al8Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.8897]
_cell_length_b [5.2983]
_cell_length_c [9.2243]
_ce... |
mp-12641 | Ba2HoNbO6 | data_[Ba8Ho4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [Fm-3m]
_cell_length_a [8.5392]
_cell_length_b [8.5... |
mp-1113328 | CsRb2YF6 | data_[Cs4Rb8Y4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0104]
_cell_length_b [10.0... |
mp-1186674 | PmZn2Hg | data_[Pm4Zn8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9282]
_cell_length_b [6.9282]
_cell_length_c [6.9282]
_c... |
mp-29740 | Tl(ZnSb)2 | data_[Tl4Zn8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [8.5243]
_cell_length_b [8.5243]
_cell_length_c [7.4891]
_ce... |
mp-20699 | YMnO3 | data_[Y4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8895]
_cell_length_b [7.4955]
_cell_length_c [5.3362]
_cell_... |
mp-18907 | Ca2MnAlO5 | data_[Ca8Mn4Al4O20]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.8407]
_cell_length_b [5.6... |
mp-8231 | ZrSO | data_[Zr2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6273]
_cell_length_b [3.6273]
_cell_length_c [6.4119]
_cell... |
mp-1017987 | Tc3N | data_[Tc3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8206]
_cell_length_b [2.8206]
_cell_length_c [7.0992]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1077831 | EuScGe | data_[Eu4Sc4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3816]
_cell_length_b [4.3816]
_cell_length_c [16.0941]
... |
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