Database stringclasses 1
value | Material ID stringlengths 4 10 | Reduced Formula stringlengths 1 14 | Density (g/cm^3) stringlengths 3 6 | CIF stringlengths 763 1.7k | norm_Density (g/cm^3) stringlengths 3 6 |
|---|---|---|---|---|---|
MP-20 | mp-1384 | LaIr5 | 16.758 | data_[La1Ir5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3907]
_cell_length_b [5.3907]
_cell_length_c [4.3310]
_cell_angle_alpha [90.0000]
_cell... | 0.7587 |
MP-20 | mp-673624 | MgNb2(PbO3)3 | 7.752 | data_[Mg1Nb2Pb3O9]
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
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1271]
_cell_length_b [5.7847]... | 0.351 |
MP-20 | mp-973834 | PdAu3 | 16.609 | data_[Pd1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1157]
_cell_length_b [4.1157]
_cell_length_c [4.1157]
_cell_angle_alpha [90.0000]
_cell_... | 0.752 |
MP-20 | mp-11407 | GaPt3 | 17.68 | data_[Ga1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9476]
_cell_length_b [3.9476]
_cell_length_c [3.9476]
_cell_angle_alpha [90.0000]
_cell_... | 0.8005 |
MP-20 | mp-570778 | Cl2 | 0.829 | data_[Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/ncm]
_cell_length_a [11.7658]
_cell_length_b [11.7658]
_cell_length_c [8.2035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell... | 0.0375 |
MP-20 | mp-981393 | Lu2HgAu | 13.401 | data_[Lu8Hg4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1822]
_cell_length_b [7.1822]
_cell_length_c [7.1822]
_c... | 0.6067 |
MP-20 | mp-1072444 | UPt5 | 19.145 | data_[U4Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4947]
_cell_length_b [7.4947]
_cell_length_c [7.4947]
_cell_angle_alpha [90.0000]
_cell_a... | 0.8668 |
MP-20 | mp-626644 | Ca(HO)2 | 2.182 | data_[Ca2H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.3170]
_cell_length_b [3.5914]
_cell_length_c [5.0112]
_cell_ang... | 0.0988 |
MP-20 | mp-1101783 | Bi2Ir | 13.151 | data_[Bi8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0156]
_cell_length_b [6.8970]
_cell_length_c [7.0832]
_cell_angle_alpha [90.0000]
_cell... | 0.5954 |
MP-20 | mp-44 | U | 19.777 | data_[U4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8086]
_cell_length_b [5.7975]
_cell_length_c [4.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... | 0.8954 |
MP-20 | mp-16560 | KEr2CuSe4 | 6.113 | data_[K4Er8Cu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0884]
_cell_length_b [13.9... | 0.2768 |
MP-20 | mp-1079790 | TbSnPt | 11.829 | data_[Tb3Sn3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5460]
_cell_length_b [7.5460]
_cell_length_c [4.0371]
_c... | 0.5356 |
MP-20 | mp-12608 | CuPt7 | 19.408 | data_[Cu4Pt28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8789]
_cell_length_b [7.8789]
_cell_length_c [7.8789]
_cell_angle_alpha [90.0000]
_cell... | 0.8787 |
MP-20 | mp-1232230 | EuSe2 | 6.819 | data_[Eu2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1060]
_cell_length_b [4.1060]
_cell_length_c [8.9520]
_cell_angle_alpha [90.0000]
_cell... | 0.3087 |
MP-20 | mp-23456 | CrBiO3 | 8.261 | data_[Cr8Bi8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
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 [9.6343]
_cell_length_b [5.5832]
_cell_length_c [9.7636]
_cel... | 0.374 |
MP-20 | mvc-5791 | Mg2CoIrO6 | 6.733 | data_[Mg4Co2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0390]
_cell_length_b [5.... | 0.3048 |
MP-20 | mp-20051 | CeBPt4 | 15.38 | data_[Ce2B2Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4806]
_cell_length_b [5.4806]
_cell_length_c [7.7303]
_ce... | 0.6963 |
MP-20 | mp-12854 | ZnCu2GeTe4 | 5.749 | data_[Zn2Cu4Ge2Te8]
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
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.0932]
_cell_length_b [6.... | 0.2603 |
MP-20 | mp-1187208 | Ta2ReW | 18.125 | data_[Ta8Re4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4491]
_cell_length_b [6.4491]
_cell_length_c [6.4491]
_cel... | 0.8206 |
MP-20 | mp-1102143 | ErRe2 | 15.989 | data_[Er4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4236]
_cell_length_b [5.4236]
_cell_length_c [8.8003]
_cell_angle_alpha [90.0000]
_ce... | 0.7239 |
MP-20 | mp-1229060 | Al(V4Ge)3 | 6.529 | data_[Al1V12Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.7715]
_cell_length_b [4.7758]
_cell_length_c [9.5560]
_cel... | 0.2956 |
MP-20 | mp-2848 | Pu5Ir3 | 17.208 | data_[Pu20Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [11.1456]
_cell_length_b [11.1456]
_cell_length_c [5.5826]
_cell_angle_alpha [90.0000]
_... | 0.7791 |
MP-20 | mp-1183727 | CeMgCd2 | 6.58 | data_[Ce4Mg4Cd8]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3242]
_cell_length_b [7.3242]
_cell_length_c [7.3242]
_c... | 0.2979 |
MP-20 | mp-1184919 | K3Na | 0.927 | data_[K6Na2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [9.0437]
_cell_length_b [9.0437]
_cell_length_c [7.0972]
_cell_angle_alpha [90.0000]
_cell... | 0.042 |
MP-20 | mp-1173014 | Li5GeP3 | 2.205 | data_[Li20Ge4P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0143]
_cell_length_b [5.8611]
_cell_length_c [8.3401]
_c... | 0.0998 |
MP-20 | mp-17794 | HoGe2Ir | 10.878 | data_[Ho8Ge16Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2640]
_cell_length_b [8.9052]
_cell_length_c [16.1590]
_... | 0.4925 |
MP-20 | mp-685607 | CsTaSe3 | 5.667 | data_[Cs4Ta4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1891]
_cell_length_b [7.7601]
_cell_length_c [13.4404]
_... | 0.2566 |
MP-20 | mp-1217492 | TbNdCo4 | 9.331 | data_[Tb4Nd4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2660]
_cell_length_b [7.2660]
_cell_length_c [7.2660]
_... | 0.4225 |
MP-20 | mp-23309 | ScCl3 | 2.137 | data_[Sc6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.4932]
_cell_length_b [6.4932]
_cell_length_c [19.3248]
_cell_angle_alpha [90.0000]
_cell_... | 0.0968 |
MP-20 | mp-1095677 | NpSb2 | 9.776 | data_[Np8Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.1746]
_cell_length_b [6.1309]
_cell_length_c [17.2480]
_cell_angle_alpha [90.0000]
_cell... | 0.4426 |
MP-20 | mp-21104 | Hf5Sn3 | 11.687 | data_[Hf10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4658]
_cell_length_b [8.4658]
_cell_length_c [5.7162]
_cell_angle_alpha [90.0000]
_c... | 0.5291 |
MP-20 | mp-1187258 | TaRu3 | 13.471 | data_[Ta2Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6026]
_cell_length_b [5.6026]
_cell_length_c [4.3911]
_cell_angle_alpha [90.0000]
_ce... | 0.6099 |
MP-20 | mp-1104827 | Pr3GaCo3 | 7.762 | data_[Pr12Ga4Co12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1506]
_cell_length_b [10.3927]
_cell_length_c [13.2773]... | 0.3514 |
MP-20 | mp-7275 | BaSi2 | 4.139 | data_[Ba4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_332]
_cell_length_a [6.7714]
_cell_length_b [6.7714]
_cell_length_c [6.7714]
_cell_angle_alpha [90.0000]
_cell... | 0.1874 |
MP-20 | mp-1247749 | CsSnBr3 | 4.038 | data_[Cs4Sn4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2960]
_cell_length_b [11.8433]
_cell_length_c [8.2248]
_... | 0.1828 |
MP-20 | mp-3996 | GaAsO4 | 3.944 | data_[Ga3As3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.1120]
_cell_length_b [5.1120]
_cell_length_c [11.6451]
_... | 0.1786 |
MP-20 | mp-754369 | Na4MgO3 | 2.189 | data_[Na16Mg4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.1861]
_cell_length_b [5.9403]
_cell_length_c [8.1142]
_cel... | 0.0991 |
MP-20 | mp-1078641 | SmZnNi | 8.146 | data_[Sm3Zn3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1384]
_cell_length_b [7.1384]
_cell_length_c [3.8036]
_c... | 0.3688 |
MP-20 | mp-1178958 | U | 19.194 | data_[U8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6077]
_cell_length_b [4.8906]
_cell_length_c [5.0978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... | 0.869 |
MP-20 | mp-1078155 | SnPPt5 | 16.341 | data_[Sn1P1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9960]
_cell_length_b [3.9960]
_cell_length_c [7.1602]
_ce... | 0.7398 |
MP-20 | mp-1206857 | SmSnIr | 11.506 | data_[Sm3Sn3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4582]
_cell_length_b [7.4582]
_cell_length_c [4.1458]
_c... | 0.5209 |
MP-20 | mp-758265 | LiCu2F6 | 4.162 | data_[Li2Cu4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6719]
_cell_length_b [4.6719]
_cell_length_c [9.0666]
... | 0.1884 |
MP-20 | mp-861903 | LiBiRh2 | 10.884 | data_[Li4Bi4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3609]
_cell_length_b [6.3609]
_cell_length_c [6.3609]
_c... | 0.4928 |
MP-20 | mvc-5892 | Zn(AgO2)2 | 5.807 | data_[Zn4Ag8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8855]
_cell_length_b [5.8855]
_cell_length_c [11.3977]... | 0.2629 |
MP-20 | mp-1184764 | K | 0.879 | data_[K9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7888]
_cell_length_b [4.7888]
_cell_length_c [33.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... | 0.0398 |
MP-20 | mp-1186901 | Re | 20.539 | data_[Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.7849]
_cell_length_b [2.7849]
_cell_length_c [8.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... | 0.9299 |
MP-20 | mp-862619 | LiErIn2 | 7.095 | data_[Li4Er4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2309]
_cell_length_b [7.2309]
_cell_length_c [7.2309]
_c... | 0.3212 |
MP-20 | mp-1105654 | TiSiOs | 10.204 | data_[Ti12Si12Os12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1091]
_cell_length_b [11.2391]
_cell_length_c [6.5059]... | 0.462 |
MP-20 | mp-1339 | NbIr3 | 18.297 | data_[Nb1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9314]
_cell_length_b [3.9314]
_cell_length_c [3.9314]
_cell_angle_alpha [90.0000]
_cell_... | 0.8284 |
MP-20 | mp-1085 | UOs2 | 19.316 | data_[U8Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5205]
_cell_length_b [7.5205]
_cell_length_c [7.5205]
_cell_angle_alpha [90.0000]
_cell_a... | 0.8745 |
MP-20 | mp-862911 | Ti2CoTc | 7.509 | data_[Ti8Co4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0687]
_cell_length_b [6.0687]
_cell_length_c [6.0687]
_c... | 0.34 |
MP-20 | mp-865436 | Gd2IrRh | 12.27 | data_[Gd8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9106]
_cell_length_b [6.9106]
_cell_length_c [6.9106]
_c... | 0.5555 |
MP-20 | mp-1232072 | Sm2MgSe4 | 5.066 | data_[Sm16Mg8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.8892]
_cell_length_b [11.8892]
_cell_length_c [11.889... | 0.2294 |
MP-20 | mp-30852 | TiPt8 | 19.083 | data_[Ti2Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4289]
_cell_length_b [8.4289]
_cell_length_c [3.9403]
_cell_angle_alpha [90.0000]
_cel... | 0.864 |
MP-20 | mp-1225548 | ErAlNi4 | 8.437 | data_[Er2Al2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9808]
_cell_length_b [8.4302]
_cell_length_c [4.0216]
_ce... | 0.382 |
MP-20 | mvc-13239 | TiF4 | 2.867 | data_[Ti2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1726]
_cell_length_b [5.4730]
_cell_length_c [5.7335]
_cell_angle_alpha [110.4958]
_cell_angl... | 0.1298 |
MP-20 | mp-862600 | Be2PtRh | 11.806 | data_[Be8Pt4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6230]
_cell_length_b [5.6230]
_cell_length_c [5.6230]
_c... | 0.5345 |
MP-20 | mp-126 | Pt | 20.603 | data_[Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [3.9768]
_cell_length_b [3.9768]
_cell_length_c [3.9768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... | 0.9328 |
MP-20 | mp-1224838 | Ga4Ni3Pt | 10.093 | data_[Ga12Ni9Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6953]
_cell_length_b [6.6953]
_cell_length_c [8.2651]
_cel... | 0.457 |
MP-20 | mp-894 | ZnPt | 14.743 | data_[Zn1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8762]
_cell_length_b [2.8762]
_cell_length_c [3.5468]
_cell_angle_alpha [90.0000]
_cell... | 0.6675 |
MP-20 | mp-81 | Au | 18.026 | data_[Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.1713]
_cell_length_b [4.1713]
_cell_length_c [4.1713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... | 0.8161 |
MP-20 | mp-1184107 | Dy2ZnRh | 9.618 | data_[Dy8Zn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9842]
_cell_length_b [6.9842]
_cell_length_c [6.9842]
_c... | 0.4355 |
MP-20 | mp-1111910 | K2RbMoF6 | 2.983 | data_[K8Rb4Mo4F24]
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
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.4048]
_cell_length_b [9.404... | 0.1351 |
MP-20 | mp-561672 | Cs4IrO4 | 5.654 | data_[Cs8Ir2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5783]
_cell_length_b [6.8175]
_cell_length_c [6.7844]
_cel... | 0.256 |
MP-20 | mp-1187653 | YbCd3 | 8.671 | data_[Yb2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6023]
_cell_length_b [6.6023]
_cell_length_c [5.1774]
_cell_angle_alpha [90.0000]
_ce... | 0.3926 |
MP-20 | mp-1185608 | LaGd3 | 7.468 | data_[La2Gd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1409]
_cell_length_b [5.1409]
_cell_length_c [10.2749]
_cell_angle_alpha [90.0000]
_cel... | 0.3381 |
MP-20 | mp-1217780 | Ta2Co3Ge | 12.799 | data_[Ta4Co6Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8917]
_cell_length_b [4.8917]
_cell_length_c [7.6548]... | 0.5795 |
MP-20 | mp-1186602 | PmNdHg2 | 10.222 | data_[Pm4Nd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6554]
_cell_length_b [7.6554]
_cell_length_c [7.6554]
_c... | 0.4628 |
MP-20 | mp-977218 | Li2Mg | 1.023 | data_[Li8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1118]
_cell_length_b [15.8137]
_cell_length_c [5.0367]
_cell_angle_alpha [90.0000]
_cell_... | 0.0463 |
MP-20 | mp-867792 | ReIr3 | 21.676 | data_[Re2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5394]
_cell_length_b [5.5394]
_cell_length_c [4.3983]
_cell_angle_alpha [90.0000]
_ce... | 0.9814 |
MP-20 | mp-1044 | UIr3 | 20.343 | data_[U1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0514]
_cell_length_b [4.0514]
_cell_length_c [4.0514]
_cell_angle_alpha [90.0000]
_cell_an... | 0.921 |
MP-20 | mp-5488 | LiInO2 | 5.599 | data_[Li4In4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3840]
_cell_length_b [4.3840]
_cell_length_c [9.4904]
_... | 0.2535 |
MP-20 | mp-1190044 | Tm4Ge6Os7 | 14.04 | data_[Tm8Ge12Os14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3295]
_cell_length_b [8.3295]
_cell_length_c [8.3295]
... | 0.6357 |
MP-20 | mp-1080113 | ScFeC2 | 5.037 | data_[Sc2Fe2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.3542]
_cell_length_b [3.3542]
_cell_length_c [7.3150]
_ce... | 0.2281 |
MP-20 | mp-625474 | H2SO4 | 1.994 | data_[H8S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.0245]
_cell_length_b [4.7733]
_cell_length_c [8.2190]
_cell_angl... | 0.0903 |
MP-20 | mp-867878 | AlFe2Si | 6.289 | data_[Al4Fe8Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6054]
_cell_length_b [5.6054]
_cell_length_c [5.6054]
_c... | 0.2847 |
MP-20 | mp-21357 | U2Fe2Sn | 13.214 | data_[U4Fe4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2743]
_cell_length_b [7.2743]
_cell_length_c [3.3555]
_ce... | 0.5983 |
MP-20 | mp-1102384 | Rb2S | 3.087 | 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... | 0.1398 |
MP-20 | mp-1205309 | LiB | 1.086 | data_[Li4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [3.0793]
_cell_length_b [6.2239]
_cell_length_c [5.6648]
_cell_angle_alpha [90.0000]
_cell_ang... | 0.0492 |
MP-20 | mp-1102684 | TmNi3 | 10.099 | data_[Tm9Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9346]
_cell_length_b [4.9346]
_cell_length_c [24.2107]
_cell_angle_alpha [90.0000]
_cell... | 0.4572 |
MP-20 | mp-1208995 | ScTl3F6 | 6.336 | data_[Sc2Tl6F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [6.5436]
_cell_length_b [6.5436]
_cell_length_c [9.4520]
_c... | 0.2869 |
MP-20 | mp-2663 | Nb3Pt | 11.15 | data_[Nb6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.2063]
_cell_length_b [5.2063]
_cell_length_c [5.2063]
_cell_angle_alpha [90.0000]
_cell_... | 0.5048 |
MP-20 | mp-614456 | He | 0.526 | data_[He4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
He 4.16 1.4 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [3.6981]
_cell_length_b [3.6981]
_cell_length_c [3.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamm... | 0.0238 |
MP-20 | mp-16751 | ErCuPb | 10.861 | data_[Er2Cu2Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5963]
_cell_length_b [4.5963]
_cell_length_c [7.3204]
_... | 0.4917 |
MP-20 | mp-1188688 | PuTcB2 | 12.042 | data_[Pu4Tc4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8052]
_cell_length_b [5.3970]
_cell_length_c [6.4018]
_cell... | 0.5452 |
MP-20 | mp-972623 | SmHgAu2 | 13.818 | data_[Sm4Hg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1009]
_cell_length_b [7.1009]
_cell_length_c [7.1009]
_c... | 0.6256 |
MP-20 | mp-865987 | Li2AgPd | 6.481 | data_[Li8Ag4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1608]
_cell_length_b [6.1608]
_cell_length_c [6.1608]
_c... | 0.2934 |
MP-20 | mp-20507 | PbSO3 | 6.157 | data_[Pb4S4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0540]
_cell_length_b [5.5703]
_cell_length_c [6.9071]
_cell_... | 0.2788 |
MP-20 | mp-11262 | YbAu4 | 16.423 | data_[Yb2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.6920]
_cell_length_b [6.6920]
_cell_length_c [4.3392]
_cell_angle_alpha [90.0000]
_cell_a... | 0.7436 |
MP-20 | mp-7441 | KP | 2.016 | data_[K8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.1043]
_cell_length_b [6.6168]
_cell_length_c [11.4321]
_cell_angle_alpha [90.0000]
_cel... | 0.0913 |
MP-20 | mp-623066 | GaPt3 | 17.744 | data_[Ga4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.5486]
_cell_length_b [5.5486]
_cell_length_c [7.9640]
_cell_angle_alpha [90.0000]
_cel... | 0.8034 |
MP-20 | mp-981213 | TbSmIr2 | 13.727 | data_[Tb4Sm4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9497]
_cell_length_b [6.9497]
_cell_length_c [6.9497]
_c... | 0.6215 |
MP-20 | mp-568570 | CsSnI3 | 4.281 | data_[Cs4Sn4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7332]
_cell_length_b [12.6631]
_cell_length_c [8.8722]
_ce... | 0.1938 |
MP-20 | mp-1187248 | TaOs3 | 20.521 | data_[Ta2Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6102]
_cell_length_b [5.6102]
_cell_length_c [4.4626]
_cell_angle_alpha [90.0000]
_ce... | 0.9291 |
MP-20 | mp-1216357 | VFe2(CuO2)3 | 5.301 | data_[V1Fe2Cu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0626]
_cell_length_b [3.0626... | 0.24 |
MP-20 | mp-756527 | LiFeO2 | 4.259 | data_[Li8Fe8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8904]
_cell_length_b [8.5131]
_cell_length_c [5.8951]
_cel... | 0.1928 |
MP-20 | mp-864716 | PaGaAu2 | 13.85 | data_[Pa4Ga4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9324]
_cell_length_b [6.9324]
_cell_length_c [6.9324]
_c... | 0.6271 |
MP-20 | mp-132 | Ca | 1.569 | data_[Ca2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8966]
_cell_length_b [3.8966]
_cell_length_c [6.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... | 0.071 |
MP-20 | mp-1016 | PuGe2 | 9.88 | data_[Pu4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0401]
_cell_length_b [4.0401]
_cell_length_c [16.0342]
_cell_angle_alpha [90.0000]
_c... | 0.4473 |
MP-20 | mp-1226299 | CrCuSnS4 | 4.464 | data_[Cr4Cu4Sn4S16]
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
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1994]
_cell_length_b [7.32... | 0.2021 |
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