Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1094229 | MgSn5 | data_[Mg3Sn15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.9353]
_cell_length_b [5.9353]
_cell_length_c [15.8136]
_cell_angle_alpha [90.0000]
_cell_... |
mp-15669 | Ti3Te4 | data_[Ti6Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4126]
_cell_length_b [3.8138]
_cell_length_c [7.0807]
_cell_angle_alpha [90.0000]
_cell_... |
mvc-15849 | CaVF6 | data_[Ca3V3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6098]
_cell_length_b [5.6098]
_cell_length_c [14.4011]
_cell_... |
mp-21903 | KEuGeS4 | data_[K2Eu2Ge2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7772]
_cell_length_b [6.6744]... |
mp-505365 | Mg3Nb6O11 | data_[Mg3Nb6O11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1163]
_cell_length_b [6.1163]
_cell_length_c [7.5566]
_ce... |
mp-10115 | ThB2Ir3 | data_[Th1B2Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
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 [5.4904]
_cell_length_b [5.4904]
_cell_length_c [3.2477]
_ce... |
mp-1104762 | CeSbPt5 | data_[Ce4Sb4Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3209]
_cell_length_b [5.4091]
_cell_length_c [10.9328]
_... |
mp-1105008 | Tm(Mo3Se4)2 | data_[Tm3Mo18Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5097]
_cell_length_b [9.5097]
_cell_length_c [11.8348]
_... |
mp-1186595 | PmHoCu2 | data_[Pm4Ho4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0124]
_cell_length_b [7.0124]
_cell_length_c [7.0124]
_c... |
mp-995192 | RbBaSiHO4 | data_[Rb2Ba2Si2H2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a ... |
mp-558258 | Eu2I2O | data_[Eu8I8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4738]
_cell_length_b [12.9348]
_cell_length_c [6.4389]
_cell_... |
mp-1251148 | AlF3 | data_[Al2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2816]
_cell_length_b [3.6379]
_cell_length_c [5.9007]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1222144 | Mg2AgPd | data_[Mg2Ag1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2685]
_cell_length_b [3.2685]
_cell_length_c [6.5356]
_... |
mp-1223554 | KAlNiF6 | data_[K4Al4Ni4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0910]
_cell_length_b [7.1401... |
mp-1205905 | Dy2Ge2Ru | data_[Dy8Ge8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7934]
_cell_length_b [4.3093]
_cell_length_c [10.1970]
_... |
mp-1071876 | CaAgBi | data_[Ca2Ag2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9173]
_cell_length_b [4.9173]
_cell_length_c [8.0580]... |
mp-1187263 | Tb2PdRu | data_[Tb8Pd4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9356]
_cell_length_b [6.9356]
_cell_length_c [6.9356]
_c... |
mp-535 | Fe4N | data_[Fe4N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6737]
_cell_length_b [3.6737]
_cell_length_c [3.6737]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1009084 | BeSnAs2 | data_[Be4Sn4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6558]
_cell_length_b [5.6558]
_cell_length_c [11.3592]
_... |
mp-1031 | GdCd | data_[Gd1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7722]
_cell_length_b [3.7722]
_cell_length_c [3.7722]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865386 | GdGa3 | data_[Gd2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3173]
_cell_length_b [6.3173]
_cell_length_c [4.5928]
_cell_angle_alpha [90.0000]
_ce... |
mp-753721 | GdOF | data_[Gd6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8856]
_cell_length_b [3.8856]
_cell_length_c [19.4266]
_cell_... |
mp-1003486 | CaMnO2 | data_[Ca16Mn16O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.3370]
_cell_length_b [9.3370]
_cell_length_c [9.3370]
_... |
mp-2127 | Pr3Te4 | data_[Pr12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.6020]
_cell_length_b [9.6020]
_cell_length_c [9.6020]
_cell_angle_alpha [90.0000]
_cel... |
mp-862773 | TeI2 | data_[Te2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.8623]
_cell_length_b [8.8623]
_cell_length_c [4.1763]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206686 | TbNiBi | data_[Tb4Ni4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4917]
_cell_length_b [6.4917]
_cell_length_c [6.4917]
_c... |
mp-22012 | Tb(MnGe)6 | data_[Tb1Mn6Ge6]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0786]
_cell_length_b [5.0786]
_cell_length_c [8.1598]
_... |
mp-4840 | GaCuSe2 | data_[Ga4Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6678]
_cell_length_b [5.6678]
_cell_length_c [11.2540]
_... |
mp-18800 | Cr2SiO4 | data_[Cr16Si8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7556]
_cell_length_b [9.8677]
_cell_length_c [11.3998]
_c... |
mp-1103816 | BaGaH5 | data_[Ba2Ga2H10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0246]
_cell_length_b [4.6117]
_cell_length_c [8.5986]
_cel... |
mp-1077147 | HoSi2 | data_[Ho4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.9509]
_cell_length_b [3.9509]
_cell_length_c [14.7023]
_cell_angle_alpha [90.0000]
_c... |
mp-1215665 | Zr3CoSe6 | data_[Zr9Co3Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.4796]
_cell_length_b [6.4796]
_cell_length_c [18.2961]
_c... |
mp-669347 | KCuF3 | data_[K4Cu4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.8635]
_cell_length_b [5.8635]
_cell_length_c [7.9989]
_cel... |
mp-1094056 | Si7Ge | data_[Si7Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.4991]
_cell_length_b [5.4991]
_cell_length_c [5.4991]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225246 | Ga(FeO2)2 | data_[Ga4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9301]
_cell_length_b [5.9770]
_cell_length_c [8.5887]
_cel... |
mp-1120725 | CsPbBr3 | data_[Cs4Pb4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.0283]
_cell_length_b [11.9163]
_cell_length_c [11.9452]
... |
mp-1208511 | Sr2YbBiO6 | data_[Sr4Yb2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9533]
_cell_length_b [6.... |
mp-980052 | Yb3In | data_[Yb12In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9374]
_cell_length_b [7.9374]
_cell_length_c [7.9374]
_cell_angle_alpha [90.0000]
_cell... |
mp-867680 | NaTlO | data_[Na4Tl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1434]
_cell_length_b [3.6492]
_cell_length_c [12.8018]
_cell_... |
mp-761032 | Hf5N5O2 | data_[Hf10N10O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4191]
_cell_length_b [3.0675]
_cell_length_c [9.1171]
_cel... |
mp-1225597 | Er2Ga3Cu | data_[Er2Ga3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3571]
_cell_length_b [4.3571]
_cell_length_c [7.1379]
_ce... |
mp-755571 | Li2VGa3O8 | data_[Li2V1Ga3O8]
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
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1902]
_cell_length_b [5.4475]
_... |
mp-1217790 | Ta(Mo2S5)2 | data_[Ta1Mo4S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5985]
_cell_length_b [6.6377]
_cell_length_c [8.5553]
_cell_... |
mp-1226860 | Ce3PrO8 | data_[Ce6Pr2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5196]
_cell_length_b [5.5196]
_cell_length_c [11.0561]
_... |
mp-1185787 | Mg3Pb | data_[Mg6Pb2]
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 [P6_3/mmc]
_cell_length_a [6.5132]
_cell_length_b [6.5132]
_cell_length_c [5.2730]
_cell_angle_alpha [90.0000]
_ce... |
mp-1001017 | Zn(InSe2)2 | data_[Zn8In16Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.3184]
_cell_length_b [11.3184]
_cell_length_c [11.318... |
mp-1113566 | Cs2EuAgCl6 | data_[Cs8Eu4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8950]
_cell_length_b [... |
mp-569008 | PdCl2 | data_[Pd2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.4225]
_cell_length_b [11.5790]
_cell_length_c [3.4108]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1029375 | BaCN2 | data_[Ba3C3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3400]
_cell_length_b [4.3400]
_cell_length_c [15.4824]
_cell_... |
mp-6983 | NaAgO | data_[Na8Ag8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.5984]
_cell_length_b [9.5984]
_cell_length_c [4.6896]
_ce... |
mp-1183453 | Ca2TlHg | data_[Ca8Tl4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6794]
_cell_length_b [7.6794]
_cell_length_c [7.6794]
_c... |
mp-18953 | NaV(OF)2 | data_[Na2V2O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
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 [P2_1]
_cell_length_a [6.5629]
_cell_length_b [3.5755]
_... |
mp-1227724 | Ca3Mn4BiO12 | data_[Ca3Mn4Bi1O12]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4116]
_cell_length_b [7.6614... |
mp-755253 | LiZrO2 | data_[Li4Zr4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3547]
_cell_length_b [4.3547]
_cell_length_c [8.9504]
_... |
mp-8781 | SnS | data_[Sn4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [11.2362]
_cell_length_b [5.8513]
_cell_length_c [5.9231]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1226720 | CdSnAu | data_[Cd4Sn4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6479]
_cell_length_b [6.6479]
_cell_length_c [6.6479]
_c... |
mp-625996 | NaHO | data_[Na2H2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3805]
_cell_length_b [3.6431]
_cell_length_c [5.6492]
_cell_ang... |
mp-567905 | U3Ni3Sn4 | data_[U12Ni12Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.3414]
_cell_length_b [9.3414]
_cell_length_c [9.3414]
_... |
mp-1188946 | Re2BiO6 | data_[Re8Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
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 [16.2646]
_cell_length_b [4.9965]
_cell_length_c [5.5923]
_ce... |
mp-753549 | LiV6O7F5 | data_[Li1V6O7F5]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8137]
_cell_length_b [6.0914]
_ce... |
mp-1071260 | LaSnAu | data_[La2Sn2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8112]
_cell_length_b [4.8112]
_cell_length_c [7.9342]
_... |
mp-1540904 | KTaF6 | data_[K2Ta2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.3413]
_cell_length_b [5.3413]
_cell_length_c [10.0026]
_... |
mp-2282 | NiS2 | data_[Ni4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [5.6062]
_cell_length_b [5.6062]
_cell_length_c [5.6062]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1114425 | Rb2LiNdI6 | data_[Rb8Li4Nd4I24]
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
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1744]
_cell_length_b [12... |
mp-13108 | SrHfO3 | data_[Sr1Hf1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1381]
_cell_length_b [4.1381]
_cell_length_c [4.1467]
_cell... |
mp-1038860 | Ce2Mg | data_[Ce8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7101]
_cell_length_b [3.2076]
_cell_length_c [8.0614]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-677308 | NaPr2Cl6 | data_[Na2Pr4Cl12]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9899]
_cell_length_b [3.9557]
_cell_length_c [16.0006]... |
mp-10616 | BaLiAs | data_[Ba1Li1As1]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.5552]
_cell_length_b [4.5552]
_cell_length_c [4.6204]
_c... |
mp-1222965 | LaYIn6 | data_[La1Y1In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7533]
_cell_length_b [4.7533]
_cell_length_c [9.3804]
_ce... |
mp-1222883 | LaDy | data_[La1Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6600]
_cell_length_b [3.6600]
_cell_length_c [5.9649]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22277 | EuCuAs | data_[Eu2Cu2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2181]
_cell_length_b [4.2181]
_cell_length_c [8.2775]... |
mp-1227694 | BaSr3Pd2(OF)4 | data_[Ba1Sr3Pd2O4F4]
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
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
mp-1205987 | Dy2MgCu2 | data_[Dy4Mg2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
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 [7.7339]
_cell_length_b [7.7339]
_cell_length_c [3.6175]
_... |
mp-1211085 | LiCa2FeN2 | data_[Li2Ca4Fe2N4]
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
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.3463]
_cell_length_b [5... |
mp-1213258 | Er6InCo2 | data_[Er24In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.2879]
_cell_length_b [9.4844]
_cell_length_c [9.8798]
_c... |
mp-1212232 | Ho4Ga12Pd | data_[Ho8Ga24Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6372]
_cell_length_b [8.6372]
_cell_length_c [8.6372]
_... |
mp-761275 | LiVF5 | data_[Li4V4F20]
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 [C2/c]
_cell_length_a [8.4538]
_cell_length_b [6.3957]
_cell_length_c [7.6104]
_cell_... |
mp-20474 | MnCu2GeS4 | data_[Mn2Cu4Ge2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5932]
_cell_length_b [6.5... |
mp-642304 | Ba(Ge3Pt)4 | data_[Ba2Ge24Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.8278]
_cell_length_b [8.8278]
_cell_length_c [8.8278]
_c... |
mp-1216354 | VCrP2 | data_[V2Cr2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1154]
_cell_length_b [6.0656]
_cell_length_c [5.4047]
_cell... |
mp-1184092 | Er2CuPd | data_[Er8Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9110]
_cell_length_b [6.9110]
_cell_length_c [6.9110]
_c... |
mp-762225 | BaCO3 | data_[Ba2C2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.5801]
_cell_length_b [5.4039]
_cell_length_c [6.9823]
_cell_a... |
mp-1604 | Pt3O4 | data_[Pt6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.6657]
_cell_length_b [5.6657]
_cell_length_c [5.6657]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-755574 | LuAlO3 | data_[Lu4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3618]
_cell_length_b [7.3604]
_cell_length_c [5.1200]
_cel... |
mp-1567273 | MgMn(GeO3)2 | data_[Mg4Mn4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
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 [9.8524]
_cell_length_b [9.30... |
mp-1208525 | Sr2YCu2PbO7 | data_[Sr2Y1Cu2Pb1O7]
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
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_... |
mp-1102384 | Rb2S | data_[Rb8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4690]
_cell_length_b [5.1469]
_cell_length_c [10.0221]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-10844 | Te2Ir | data_[Te8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.5426]
_cell_length_b [6.5426]
_cell_length_c [6.5426]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-121 | Hg | data_[Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7476]
_cell_length_b [3.7476]
_cell_length_c [6.9885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-570272 | Tb2Mg3Ni2 | data_[Tb4Mg6Ni4]
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 [Cmmm]
_cell_length_a [3.9545]
_cell_length_b [21.0936]
_cell_length_c [3.6301]
_c... |
mp-445 | NdCo2 | data_[Nd8Co16]
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 [Fd-3m]
_cell_length_a [7.2750]
_cell_length_b [7.2750]
_cell_length_c [7.2750]
_cell_angle_alpha [90.0000]
_cell... |
mp-29606 | Rb2Zn3O4 | data_[Rb8Zn12O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4827]
_cell_length_b [6.6087]
_cell_length_c [5.8701]
_c... |
mp-20360 | PuIn3 | data_[Pu1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6701]
_cell_length_b [4.6701]
_cell_length_c [4.6701]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215670 | ZnCu2SnSe3S | data_[Zn1Cu2Sn1Se3S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a ... |
mp-29617 | V3Sb2 | data_[V18Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5182]
_cell_length_b [5.5182]
_cell_length_c [20.4834]
_cell_angle_alpha [90.0000]
_cell_... |
mp-21131 | CaMnSb2 | data_[Ca4Mn4Sb8]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [21.0759]
_cell_length_b [4.3769]
_cell_length_c [4.3832]
_c... |
mp-975972 | PrLuMg2 | data_[Pr4Lu4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6354]
_cell_length_b [7.6354]
_cell_length_c [7.6354]
_c... |
mp-973464 | LaEr3 | data_[La2Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0704]
_cell_length_b [5.0704]
_cell_length_c [10.1068]
_cell_angle_alpha [90.0000]
_cel... |
mp-643022 | Rb3H5Pd | data_[Rb6H10Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8287]
_cell_length_b [7.8287]
_cell_length_c [6.1097]
_c... |
mvc-3578 | Ca2Cr3O8 | data_[Ca4Cr6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1304]
_cell_length_b [6.0181]
_cell_length_c [5.0458]
_ce... |
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