Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-12417 | Ba2CaReO6 | data_[Ba4Ca2Re2O12]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.9813]
_cell_length_b [5.98... |
mp-644103 | CaSiSnO5 | data_[Ca2Si2Sn2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6333]
_cell_length_b [5.644... |
mp-1094656 | Mg2Ga | data_[Mg4Ga2]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.4396]
_cell_length_b [5.4396]
_cell_length_c [4.8576]
_cell_angle_alpha [90.0000]
_cell_... |
mp-25096 | NiBiO3 | data_[Ni4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3684]
_cell_length_b [7.8488]
_cell_length_c [5.6822]
_c... |
mp-849420 | Li2Mn3CuO8 | data_[Li6Mn9Cu3O24]
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 [R3m]
_cell_length_a [5.8353]
_cell_length_b [5.835... |
mp-546787 | KNO2 | data_[K2N2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2799]
_cell_length_b [5.8098]
_cell_length_c [4.1904]
_cell_angle... |
mp-1185554 | CsK3 | data_[Cs4K12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0202]
_cell_length_b [11.0202]
_cell_length_c [11.0202]
_cell_angle_alpha [90.0000]
_cel... |
mp-541449 | CrGeTe3 | data_[Cr6Ge6Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9129]
_cell_length_b [6.9129]
_cell_length_c [21.8184]
_c... |
mp-1228724 | AsRhSe | data_[As4Rh4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.0129]
_cell_length_b [6.0129]
_cell_length_c [6.0129]
_c... |
mp-1185825 | Mg5Pb | data_[Mg10Pb2]
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 [Amm2]
_cell_length_a [5.2256]
_cell_length_b [3.3405]
_cell_length_c [16.6365]
_cell_angle_alpha [90.0000]
_cell... |
mp-569350 | La5Sn3Br | data_[La10Sn6Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7121]
_cell_length_b [9.7121]
_cell_length_c [7.0161... |
mp-1111966 | Cs2RbNbF6 | data_[Cs8Rb4Nb4F24]
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
Nb 1.6000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.6108]
_cell_length_b [9.6... |
mp-22136 | CoGeO3 | data_[Co8Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7837]
_cell_length_b [9.1379]
_cell_length_c [5.2380]
_cel... |
mp-9472 | LiAg2Ge | data_[Li4Ag8Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4491]
_cell_length_b [6.4491]
_cell_length_c [6.4491]
_c... |
mp-7477 | RbErO2 | data_[Rb3Er3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4741]
_cell_length_b [3.4741]
_cell_length_c [19.6457]
_cel... |
mp-11555 | PuRu | data_[Pu1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.2720]
_cell_length_b [3.2720]
_cell_length_c [3.2720]
_cell_angle_alpha [90.0000]
_cell_... |
mp-866192 | Li2YbSn | data_[Li8Yb4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9062]
_cell_length_b [6.9062]
_cell_length_c [6.9062]
_c... |
mp-1096838 | Ba(AgO)2 | data_[Ba4Ag8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.0014]
_cell_length_b [6.0014]
_cell_length_c [10.9004]
... |
mp-22156 | Hf2InC | data_[Hf4In2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3230]
_cell_length_b [3.3230]
_cell_length_c [14.9074]
... |
mp-1208349 | TbMn4(CuO4)3 | data_[Tb2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [Im-3]
_cell_length_a [7.4134]
_cell_length_b [7.41... |
mp-752556 | KCoO2 | data_[K4Co4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5961]
_cell_length_b [3.2584]
_cell_length_c [7.4155]
_cell_... |
mp-29141 | Re3Ge7 | data_[Re12Ge28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2678]
_cell_length_b [9.1368]
_cell_length_c [22.1582]
_cell_angle_alpha [90.0000]
_cel... |
mp-23472 | Re(AgCl3)2 | data_[Re3Ag6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7364]
_cell_length_b [6.7364]
_cell_length_c [18.0594]
_c... |
mp-37381 | SmOF | data_[Sm4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.5688]
_cell_length_b [5.5688]
_cell_length_c [5.5688]
_cell_... |
mp-27988 | IF7 | data_[I4F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [9.7880]
_cell_length_b [8.8369]
_cell_length_c [6.8279]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1226981 | CeGa7Fe5 | data_[Ce2Ga14Fe10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0405]
_cell_length_b [8.7272]
_cell_length_c [8.6832]
_... |
mp-6638 | Nd2Fe2Si2C | data_[Nd4Fe4Si4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [C2/m]
_cell_length_a [10.8139]
_cell_length_b [3.99... |
mp-1216649 | TiSnO4 | data_[Ti2Sn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7016]
_cell_length_b [6.7245]
_cell_length_c [3.1021]
_cell... |
mp-985439 | BaPAu | data_[Ba2P2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4693]
_cell_length_b [4.4693]
_cell_length_c [9.1840]
_... |
mp-16491 | SrAl9Co2 | data_[Sr1Al9Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.9081]
_cell_length_b [7.9081]
_cell_length_c [3.9129]
_... |
mp-866218 | Ti2MnRh | data_[Ti8Mn4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0840]
_cell_length_b [6.0840]
_cell_length_c [6.0840]
_c... |
mp-625788 | La(HO)3 | data_[La2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8311]
_cell_length_b [6.5709]
_cell_length_c [6.6122]
_cell_ang... |
mp-1228189 | Ba4Bi(PbO4)3 | data_[Ba4Bi1Pb3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3687]
_cell_length_b [4.... |
mp-21071 | Eu2SO2 | data_[Eu2S1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9246]
_cell_length_b [3.9246]
_cell_length_c [6.8014]
_cell_... |
mp-1113340 | Rb2AsAuCl6 | data_[Rb8As4Au4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4426]
_cell_length_b [... |
mp-1186158 | NaIn3 | data_[Na2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6824]
_cell_length_b [4.6824]
_cell_length_c [9.7142]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185453 | Lu2TlZn | data_[Lu8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2339]
_cell_length_b [7.2339]
_cell_length_c [7.2339]
_c... |
mp-1215447 | ZnHgS2 | data_[Zn3Hg3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0367]
_cell_length_b [4.0367]
_cell_length_c [19.9509]
_cell... |
mp-22495 | SmNiO3 | data_[Sm4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5479]
_cell_length_b [7.6311]
_cell_length_c [5.3468]
_cel... |
mp-1228399 | Ba2SrV2O8 | data_[Ba6Sr3V6O24]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.8480]
_cell_length_b [5.8480]... |
mp-1854 | EuPd2 | data_[Eu8Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.8457]
_cell_length_b [7.8457]
_cell_length_c [7.8457]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103194 | SbSBr | data_[Sb4S4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [8.7810]
_cell_length_b [10.2209]
_cell_length_c [4.0141]
_c... |
mp-861964 | LiLu2Ir | data_[Li4Lu8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8024]
_cell_length_b [6.8024]
_cell_length_c [6.8024]
_c... |
mp-862764 | LiCa2Rh | data_[Li4Ca8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1624]
_cell_length_b [7.1624]
_cell_length_c [7.1624]
_c... |
mp-755212 | Li3Co2(NiO4)2 | data_[Li6Co4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9292]
_cell_length_b [5.75... |
mp-1227838 | BaNdFeCoO6 | data_[Ba1Nd1Fe1Co1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
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 [P4mm]
_cell_length_... |
mp-568526 | SrHg2 | data_[Sr4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1613]
_cell_length_b [7.9503]
_cell_length_c [8.7148]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-29376 | Na5InS4 | data_[Na10In2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8839]
_cell_length_b [8.8534]
_cell_length_c [7.8744]
_c... |
mp-13841 | IrF4 | data_[Ir8F32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.4784]
_cell_length_b [9.7290]
_cell_length_c [5.9583]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1080506 | Sr2TaInO6 | data_[Sr8Ta4In4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2611]
_cell_length_b [8.2... |
mp-22877 | VCl2 | data_[V1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6553]
_cell_length_b [3.6553]
_cell_length_c [6.0860]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1077071 | GdCo5 | data_[Gd1Co5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9404]
_cell_length_b [4.9404]
_cell_length_c [3.9429]
_cell_angle_alpha [90.0000]
_cell... |
mp-568587 | CrCuSe2 | data_[Cr3Cu3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7484]
_cell_length_b [3.7484]
_cell_length_c [19.1064]
_ce... |
mp-1207658 | Yb(FeSb3)4 | data_[Yb2Fe8Sb24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.1852]
_cell_length_b [9.1852]
_cell_length_c [9.1852]
_c... |
mp-541378 | CsBiS2 | data_[Cs4Bi4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1927]
_cell_length_b [9.5948]
_cell_length_c [7.5169]
_ce... |
mp-1215972 | YLuCr2O8 | data_[Y2Lu2Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Lu 1.2700 1.7500 1.0010
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.1554]
_cell_length_b [7.155... |
mp-754260 | V6O11F | data_[V6O11F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6161]
_cell_length_b [5.5310]
_cell_length_c [7.5322]
_cell_angl... |
mp-862366 | Sc2TlAg | data_[Sc8Tl4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0512]
_cell_length_b [7.0512]
_cell_length_c [7.0512]
_c... |
mp-22904 | CaCl2 | data_[Ca2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.4390]
_cell_length_b [6.4390]
_cell_length_c [4.2232]
_cell_angle_alpha [90.0000]
_ce... |
mp-1080104 | Pr(BIr)2 | data_[Pr8B16Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0393]
_cell_length_b [9.4572]
_cell_length_c [10.7391]
_c... |
mp-1105721 | NaCr2In(H2O5)2 | data_[Na2Cr4In2H8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a... |
mp-1219545 | Re4(As2S)3 | data_[Re12As18S9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0704]
_cell_length_b [7.0704]
_cell_length_c [17.3874]
_ce... |
mp-976261 | NaCa2In | data_[Na4Ca8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9345]
_cell_length_b [7.9345]
_cell_length_c [7.9345]
_c... |
mp-20847 | Ti5Sn3 | data_[Ti10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.0804]
_cell_length_b [8.0804]
_cell_length_c [5.4431]
_cell_angle_alpha [90.0000]
_c... |
mp-21493 | U2Ga8Ru | data_[U2Ga8Ru1]
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 [4.3010]
_cell_length_b [4.3010]
_cell_length_c [11.0220]
_c... |
mp-972511 | Sm2AgSn | data_[Sm8Ag4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5575]
_cell_length_b [7.5575]
_cell_length_c [7.5575]
_c... |
mp-867889 | KNaGdTaO5 | data_[K2Na2Gd2Ta2O10]
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
Gd 1.2000 1.8000 1.0750
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length... |
mp-1025937 | Te4Mo3S2 | data_[Te4Mo3S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4216]
_cell_length_b [3.4216]
_cell_length_c [31.7112]
_cel... |
mp-5459 | Nd2TeO2 | data_[Nd4Te2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0742]
_cell_length_b [4.0742]
_cell_length_c [13.0022]
_c... |
mp-20458 | PtPbF6 | data_[Pt3Pb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4404]
_cell_length_b [7.4404]
_cell_length_c [7.1840]
_cel... |
mp-754693 | Lu(BiO2)3 | data_[Lu6Bi18O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1220]
_cell_length_b [10.1220]
_cell_length_c [11.3780]
_... |
mp-29635 | PuGa | data_[Pu8Ga8]
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 [I4/mmm]
_cell_length_a [6.4046]
_cell_length_b [6.4046]
_cell_length_c [8.5345]
_cell_angle_alpha [90.0000]
_cell... |
mp-9577 | Ca3(AlSi)2 | data_[Ca6Al4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0870]
_cell_length_b [4.5321]
_cell_length_c [18.5497]
_c... |
mp-22714 | LuCoC | data_[Lu2Co2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4_2/mmc]
_cell_length_a [3.5968]
_cell_length_b [3.5968]
_cell_length_c [6.5936]
_... |
mp-2522 | LuHg | data_[Lu1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6558]
_cell_length_b [3.6558]
_cell_length_c [3.6558]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8871 | CsNa2BO3 | data_[Cs2Na4B2O6]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8605]
_cell_length_b [6.3264]... |
mp-642458 | CeIn4Pd | data_[Ce4In16Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6173]
_cell_length_b [17.1198]
_cell_length_c [7.3465]
_... |
mp-675818 | Li11TiAs5 | data_[Li22Ti2As10]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2241]
_cell_length_b [4.2484]
_cell_length_c [10.6016]
_... |
mp-12016 | Rb2SiS3 | data_[Rb8Si4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5686]
_cell_length_b [6.9619]
_cell_length_c [9.8128]
_ce... |
mp-4793 | U(SiPd)2 | data_[U2Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0615]
_cell_length_b [4.0615]
_cell_length_c [10.3681]
_c... |
mp-861947 | LiPm2Ga | data_[Li4Pm8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3936]
_cell_length_b [7.3936]
_cell_length_c [7.3936]
_c... |
mp-1101250 | TlInO2 | data_[Tl3In3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3831]
_cell_length_b [3.3831]
_cell_length_c [19.5724]
_cel... |
mp-1226657 | CeAs2Au | data_[Ce2As4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1398]
_cell_length_b [4.1398]
_cell_length_c [9.9817]
_... |
mp-1221102 | NaBiTe2 | data_[Na3Bi3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5104]
_cell_length_b [4.5104]
_cell_length_c [22.8847]
_c... |
mp-862781 | AlCrRu2 | data_[Al4Cr4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9811]
_cell_length_b [5.9811]
_cell_length_c [5.9811]
_c... |
mvc-16792 | Y(MnS2)2 | data_[Y4Mn8S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7330]
_cell_length_b [7.7314]
_cell_length_c [7.2756]
_cell... |
mp-7390 | SrGe2 | data_[Sr1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1699]
_cell_length_b [4.1699]
_cell_length_c [5.1991]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755211 | CrO3 | data_[Cr4O12]
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 [P2_1/c]
_cell_length_a [6.9958]
_cell_length_b [4.6252]
_cell_length_c [9.7389]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226213 | CrFe3B2 | data_[Cr4Fe12B8]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [4.1766]
_cell_length_b [7.2582]
_cell_length_c [7.1637]
_cel... |
mp-16740 | TiGePd | data_[Ti3Ge3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6646]
_cell_length_b [6.6646]
_cell_length_c [3.7202]
_c... |
mp-2088 | CeAl2 | data_[Ce8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.9535]
_cell_length_b [7.9535]
_cell_length_c [7.9535]
_cell_angle_alpha [90.0000]
_cell... |
mp-976220 | NaCdHg2 | data_[Na4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3493]
_cell_length_b [7.3493]
_cell_length_c [7.3493]
_c... |
mp-1219466 | Sc2(NbSi)3 | data_[Sc8Nb12Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3769]
_cell_length_b [13.4879]
_cell_length_c [7.7185]
... |
mp-3960 | CaUO4 | data_[Ca3U3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
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 [3.8968]
_cell_length_b [3.8968]
_cell_length_c [17.8132]
_cell... |
mp-1079131 | VIr | data_[V8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2155]
_cell_length_b [7.7888]
_cell_length_c [3.9676]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1225099 | FeAg2Sn3S8 | data_[Fe3Ag6Sn9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5593]
_cell_length_b [7.55... |
mp-976419 | Hf3Bi | data_[Hf6Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4033]
_cell_length_b [4.4033]
_cell_length_c [9.4977]
_cell_angle_alpha [90.0000]
_cell... |
mp-22146 | In3Pd5 | data_[In6Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.7726]
_cell_length_b [11.2767]
_cell_length_c [4.2458]
_cell_angle_alpha [90.0000]
_cell... |
mp-5054 | Pr(CoP)2 | data_[Pr2Co4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8454]
_cell_length_b [3.8454]
_cell_length_c [10.4788]
_c... |
mp-1213084 | CsSrCl3 | data_[Cs4Sr4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1978]
_cell_length_b [11.3387]
_cell_length_c [7.8844]
_... |
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