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-1207683 | TmMnSi | 7.953 | data_[Tm4Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8506]
_cell_length_b [4.0150]
_cell_length_c [7.6504]
_ce... | 0.3601 |
MP-20 | mp-978963 | Ti3Be | 4.234 | data_[Ti6Be2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5511]
_cell_length_b [5.5511]
_cell_length_c [4.4858]
_cell_angle_alpha [90.0000]
_ce... | 0.1917 |
MP-20 | mp-7223 | Ca3AsN | 3.2 | data_[Ca3As1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7700]
_cell_length_b [4.7700]
_cell_length_c [4.7700]
_cel... | 0.1449 |
MP-20 | mp-675800 | Li5TiP3 | 1.941 | data_[Li20Ti4P12]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0615]
_cell_length_b [5.8811]
_cell_length_c [8.2373]
_c... | 0.0879 |
MP-20 | mp-1069697 | VAu4 | 16.102 | data_[V2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.5252]
_cell_length_b [6.5252]
_cell_length_c [4.0634]
_cell_angle_alpha [90.0000]
_cell_ang... | 0.729 |
MP-20 | mp-1223677 | Ir4Os | 21.951 | data_[Ir12Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7358]
_cell_length_b [2.7358]
_cell_length_c [33.5789]
_cell_angle_alpha [90.0000]
_cell... | 0.9938 |
MP-20 | mp-865858 | PaAu3 | 16.319 | data_[Pa4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9420]
_cell_length_b [6.9420]
_cell_length_c [6.9420]
_cell_angle_alpha [90.0000]
_cell... | 0.7389 |
MP-20 | mp-1216252 | Y2(InPb)3 | 8.639 | data_[Y2In3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.8020]
_cell_length_b [4.8131]
_cell_length_c [9.5131]
_cell... | 0.3911 |
MP-20 | mp-570670 | YOs2 | 14.304 | data_[Y4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3346]
_cell_length_b [5.3346]
_cell_length_c [8.8436]
_cell_angle_alpha [90.0000]
_cell... | 0.6476 |
MP-20 | mp-624691 | VAgO3 | 4.68 | data_[V8Ag8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6060]
_cell_length_b [10.0269]
_cell_length_c [5.6020]
_cel... | 0.2119 |
MP-20 | mp-571096 | FeCl2 | 3.184 | data_[Fe1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5142]
_cell_length_b [3.5142]
_cell_length_c [6.1811]
_cell_angle_alpha [90.0000]
_cell_... | 0.1442 |
MP-20 | mp-29474 | Na2Ti3Cl8 | 2.537 | data_[Na6Ti9Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2967]
_cell_length_b [7.2967]
_cell_length_c [20.1482]
_... | 0.1149 |
MP-20 | mp-23849 | Li2H2SO5 | 1.973 | data_[Li4H4S2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [P2_1]
_cell_length_a [5.5559]
_cell_length_b [4.9040]
... | 0.0893 |
MP-20 | mp-1218230 | SrInAu5 | 13.078 | data_[Sr2In2Au10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.3663]
_cell_length_b [7.3663]
_cell_length_c [5.5562]
_... | 0.5921 |
MP-20 | mp-755552 | LiYS2 | 3.243 | data_[Li1Y1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9237]
_cell_length_b [3.9237]
_cell_length_c [5.3206]
_cell... | 0.1468 |
MP-20 | mp-12481 | LaPPt | 9.514 | data_[La2P2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2496]
_cell_length_b [4.2496]
_cell_length_c [8.1456]
_... | 0.4308 |
MP-20 | mp-555313 | ScBiO3 | 7.101 | data_[Sc8Bi8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.9810]
_cell_length_b [5.8942]
_cell_length_c [10.1495]
_cell... | 0.3215 |
MP-20 | mp-1221418 | MoOs | 15.733 | data_[Mo1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.7818]
_cell_length_b [2.7818]
_cell_length_c [4.5071]
_cell_angle_alpha [90.0000]
_cell_... | 0.7123 |
MP-20 | mp-1216633 | URu2Rh | 13.994 | data_[U1Ru2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0434]
_cell_length_b [4.0434]
_cell_length_c [3.9416]
_ce... | 0.6336 |
MP-20 | mp-1221934 | MgTaN2 | 9.367 | data_[Mg1Ta1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1037]
_cell_length_b [3.1037]
_cell_length_c [4.2931]
_ce... | 0.4241 |
MP-20 | mp-1079070 | UCuSb2 | 10.128 | data_[U2Cu2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3349]
_cell_length_b [4.3349]
_cell_length_c [9.5120]
_ce... | 0.4586 |
MP-20 | mp-1214593 | Ba2Y2Mn4O11 | 5.759 | data_[Ba4Y4Mn8O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1852]
_cell_length_b [15.521... | 0.2607 |
MP-20 | mp-1079438 | Ta2N | 15.393 | data_[Ta6N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.3185]
_cell_length_b [5.3185]
_cell_length_c [4.9661]
_cell_angle_alpha [90.0000]
_cell_an... | 0.6969 |
MP-20 | mp-13915 | LiNi2Sn | 7.5 | data_[Li4Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9929]
_cell_length_b [5.9929]
_cell_length_c [5.9929]
_c... | 0.3396 |
MP-20 | mp-20262 | Pu3Pb | 14.176 | data_[Pu3Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7916]
_cell_length_b [4.7916]
_cell_length_c [4.7916]
_cell_angle_alpha [90.0000]
_cell_... | 0.6418 |
MP-20 | mp-1219535 | ReIr3 | 21.596 | data_[Re3Ir9]
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 [R-3m]
_cell_length_a [2.7435]
_cell_length_b [2.7435]
_cell_length_c [26.9954]
_cell_angle_alpha [90.0000]
_cell_... | 0.9778 |
MP-20 | mp-549475 | TbBi2BrO4 | 8.362 | data_[Tb1Bi2Br1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9249]
_cell_length_b [3.9... | 0.3786 |
MP-20 | mp-1188219 | Er2Ni7 | 9.875 | data_[Er12Ni42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9120]
_cell_length_b [4.9120]
_cell_length_c [35.9919]
_cell_angle_alpha [90.0000]
_cel... | 0.4471 |
MP-20 | mp-1226727 | CdInAgTe3 | 5.559 | data_[Cd2In2Ag2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4482]
_cell_length_b [4.64... | 0.2517 |
MP-20 | mp-867141 | ReOs3 | 21.667 | data_[Re2Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5371]
_cell_length_b [5.5371]
_cell_length_c [4.3694]
_cell_angle_alpha [90.0000]
_ce... | 0.981 |
MP-20 | mp-1217289 | ThZr3 | 8.194 | data_[Th1Zr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3125]
_cell_length_b [3.3125]
_cell_length_c [10.7847]
_cell_angle_alpha [90.0000]
_cell... | 0.371 |
MP-20 | mp-1027293 | MoWSeS3 | 4.6 | data_[Mo2W2Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2271]
_cell_length_b [3.2271]... | 0.2083 |
MP-20 | mp-34146 | Co2CuO4 | 5.713 | data_[Co16Cu8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2944]
_cell_length_b [8.2944]
_cell_length_c [8.2944]
_c... | 0.2587 |
MP-20 | mp-1094575 | LiMg | 1.215 | data_[Li6Mg6]
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 [Amm2]
_cell_length_a [5.0365]
_cell_length_b [3.1994]
_cell_length_c [15.8967]
_cell_angle_alpha [90.0000]
_cell_... | 0.055 |
MP-20 | mp-1104152 | Tb2FeC4 | 7.632 | data_[Tb8Fe4C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4927]
_cell_length_b [9.7009]
_cell_length_c [5.0500]
_cel... | 0.3455 |
MP-20 | mp-371 | La3Tl | 7.867 | data_[La3Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0801]
_cell_length_b [5.0801]
_cell_length_c [5.0801]
_cell_angle_alpha [90.0000]
_cell_... | 0.3562 |
MP-20 | mp-570960 | HfOs2 | 18.409 | data_[Hf4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2158]
_cell_length_b [5.2158]
_cell_length_c [8.5603]
_cell_angle_alpha [90.0000]
_ce... | 0.8335 |
MP-20 | mp-10527 | Y2AlSi2 | 4.204 | data_[Y4Al2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0598]
_cell_length_b [5.8360]
_cell_length_c [8.7005]
_cell... | 0.1903 |
MP-20 | mp-1187492 | TiTc2Sn | 9.305 | data_[Ti4Tc8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3729]
_cell_length_b [6.3729]
_cell_length_c [6.3729]
_c... | 0.4213 |
MP-20 | mp-1220511 | Nb5Si6W5 | 10.462 | data_[Nb10Si12W10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9127]
_cell_length_b [5.0762]
_cell_length_c [9.8481]
_ce... | 0.4737 |
MP-20 | mp-1206445 | ReW3 | 18.97 | data_[Re2W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.0548]
_cell_length_b [5.0548]
_cell_length_c [5.0548]
_cell_angle_alpha [90.0000]
_cell_an... | 0.8589 |
MP-20 | mp-1184120 | DyTmIr2 | 15.007 | data_[Dy4Tm4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8173]
_cell_length_b [6.8173]
_cell_length_c [6.8173]
_c... | 0.6794 |
MP-20 | mp-30564 | ThCo | 11.639 | data_[Th4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7257]
_cell_length_b [11.1859]
_cell_length_c [3.9846]
_cell_angle_alpha [90.0000]
_cell_... | 0.527 |
MP-20 | mp-865752 | YbGa2Ir | 12.667 | data_[Yb4Ga8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4203]
_cell_length_b [6.4203]
_cell_length_c [6.4203]
_c... | 0.5735 |
MP-20 | mp-866122 | Tm2RuRh | 11.746 | data_[Tm8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7415]
_cell_length_b [6.7415]
_cell_length_c [6.7415]
_c... | 0.5318 |
MP-20 | mp-1219917 | PdRhPb4 | 12.053 | data_[Pd2Rh2Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.9405]
_cell_length_b [6.9405]
_cell_length_c [5.9380]
_ce... | 0.5457 |
MP-20 | mp-2126 | HfIr3 | 20.07 | data_[Hf1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9680]
_cell_length_b [3.9680]
_cell_length_c [3.9680]
_cell_angle_alpha [90.0000]
_cell_... | 0.9087 |
MP-20 | mp-1185912 | MgIn2 | 5.558 | data_[Mg4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6904]
_cell_length_b [3.4359]
_cell_length_c [8.1100]
_cell_angle_alpha [90.0000]
_cell_... | 0.2516 |
MP-20 | mp-1212442 | Hf5Si3N | 11.152 | data_[Hf10Si6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.8295]
_cell_length_b [7.8295]
_cell_length_c [5.5573]
... | 0.5049 |
MP-20 | mvc-16792 | Y(MnS2)2 | 3.682 | 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... | 0.1667 |
MP-20 | mp-1184636 | HfThTc2 | 12.735 | data_[Hf4Th4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Th 1.3000 1.8000 1.0800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8138]
_cell_length_b [6.8138]
_cell_length_c [6.8138]
_c... | 0.5766 |
MP-20 | mp-569857 | K2P3 | 1.913 | data_[K32P48]
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 [Fddd]
_cell_length_a [8.4005]
_cell_length_b [14.9471]
_cell_length_c [18.9315]
_cell_angle_alpha [90.0000]
_cell_a... | 0.0866 |
MP-20 | mp-989601 | LaWN3 | 9.136 | data_[La3W3N9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7025]
_cell_length_b [5.7025]
_cell_length_c [7.0626]
_cell_an... | 0.4136 |
MP-20 | mp-977056 | MgPt5 | 17.605 | data_[Mg2Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4588]
_cell_length_b [2.7934]
_cell_length_c [6.7274]
_cell_angle_alpha [90.0000]
_cell_a... | 0.7971 |
MP-20 | mp-1226048 | CoNiTe4 | 7.482 | data_[Co1Ni1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4492]
_cell_length_b [3.8392]
_cell_length_c [6.6627]
_ce... | 0.3388 |
MP-20 | mp-555858 | ZnS | 3.976 | data_[Zn30S30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8633]
_cell_length_b [3.8633]
_cell_length_c [94.4786]
_cell_angle_alpha [90.0000]
_cell_a... | 0.18 |
MP-20 | mp-1080144 | Sm(NiSn)2 | 8.437 | data_[Sm2Ni4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4456]
_cell_length_b [4.4456]
_cell_length_c [10.0619]
... | 0.382 |
MP-20 | mp-1106026 | Y4Ga12Fe | 6.542 | data_[Y8Ga24Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5890]
_cell_length_b [8.5890]
_cell_length_c [8.5890]
_ce... | 0.2962 |
MP-20 | mp-567306 | Li3Ga7 | 4.566 | data_[Li18Ga42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5733]
_cell_length_b [8.5733]
_cell_length_c [17.4430]
_cell_angle_alpha [90.0000]
_cel... | 0.2067 |
MP-20 | mp-1216321 | UCoNi | 14.05 | data_[U4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8599]
_cell_length_b [4.9674]
_cell_length_c [6.9646]
_cell... | 0.6361 |
MP-20 | mp-1188462 | Ta5Ga3 | 13.618 | data_[Ta20Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7798]
_cell_length_b [6.7798]
_cell_length_c [11.8198]
_cell_angle_alpha [90.0000]
_c... | 0.6166 |
MP-20 | mp-1689 | HfRe2 | 17.504 | data_[Hf4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2834]
_cell_length_b [5.2834]
_cell_length_c [8.6474]
_cell_angle_alpha [90.0000]
_ce... | 0.7925 |
MP-20 | mp-12716 | LiTlPd2 | 10.544 | data_[Li2Tl2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1971]
_cell_length_b [4.1971]
_cell_length_c [7.5844]
_... | 0.4774 |
MP-20 | mp-861592 | PuAu3 | 16.229 | data_[Pu2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3737]
_cell_length_b [6.3737]
_cell_length_c [4.8563]
_cell_angle_alpha [90.0000]
_ce... | 0.7348 |
MP-20 | mp-1187204 | Ta3Pt | 17.593 | data_[Ta12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5312]
_cell_length_b [6.5312]
_cell_length_c [6.5312]
_cell_angle_alpha [90.0000]
_cell... | 0.7965 |
MP-20 | mp-569249 | Ta3Au | 17.017 | data_[Ta6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.2462]
_cell_length_b [5.2462]
_cell_length_c [5.2462]
_cell_angle_alpha [90.0000]
_cell_... | 0.7705 |
MP-20 | mp-1018799 | MgSc3Ru2 | 5.231 | data_[Mg1Sc3Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2659]
_cell_length_b [3.2659]
_cell_length_c [10.7532]
... | 0.2368 |
MP-20 | mp-1220071 | NiIr | 16.094 | data_[Ni3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.6771]
_cell_length_b [2.6771]
_cell_length_c [12.5133]
_cell_angle_alpha [90.0000]
_cell_... | 0.7287 |
MP-20 | mp-862774 | LiInPt2 | 13.235 | data_[Li4In4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3571]
_cell_length_b [6.3571]
_cell_length_c [6.3571]
_c... | 0.5992 |
MP-20 | mp-1025071 | YbB2Ir3 | 15.927 | data_[Yb1B2Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [5.6308]
_cell_length_b [5.6308]
_cell_length_c [2.9288]
_ce... | 0.7211 |
MP-20 | mp-1224829 | Ga2Co6C | 8.546 | data_[Ga2Co6C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7170]
_cell_length_b [3.7170]
_cell_length_c [7.1029]
_ce... | 0.3869 |
MP-20 | mp-1219920 | PdAu | 14.987 | data_[Pd3Au3]
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 [R-3m]
_cell_length_a [2.8901]
_cell_length_b [2.8901]
_cell_length_c [13.9411]
_cell_angle_alpha [90.0000]
_cell_... | 0.6785 |
MP-20 | mp-22409 | Hf3B2Ir5 | 17.239 | data_[Hf6B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2830]
_cell_length_b [9.2830]
_cell_length_c [3.3940]
_c... | 0.7805 |
MP-20 | mp-974395 | Pt3Rh | 18.585 | data_[Pt3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9469]
_cell_length_b [3.9469]
_cell_length_c [3.9469]
_cell_angle_alpha [90.0000]
_cell_... | 0.8414 |
MP-20 | mp-23158 | He | 0.421 | data_[He2]
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 [Im-3m]
_cell_length_a [3.1606]
_cell_length_b [3.1606]
_cell_length_c [3.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamm... | 0.0191 |
MP-20 | mp-753055 | TbBi5O9 | 8.96 | data_[Tb1Bi5O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8884]
_cell_length_b [6.8852]
_cell_length_c [9.5736]
_cell_a... | 0.4057 |
MP-20 | mp-15780 | MgPPt5 | 15.658 | data_[Mg1P1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [3.9465]
_cell_length_b [3.9465]
_cell_length_c [7.0179]
_ce... | 0.7089 |
MP-20 | mp-1178551 | Ba3(ClO)2 | 4.04 | data_[Ba6Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5924]
_cell_length_b [8.1351]
_cell_length_c [7.6263]
_ce... | 0.1829 |
MP-20 | mp-208 | GeIr | 13.693 | data_[Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6283]
_cell_length_b [3.5786]
_cell_length_c [6.3785]
_cell_angle_alpha [90.0000]
_cell_a... | 0.62 |
MP-20 | mp-29463 | LiBeN | 1.929 | data_[Li4Be4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5503]
_cell_length_b [4.7659]
_cell_length_c [5.8007]
_ce... | 0.0873 |
MP-20 | mp-974455 | Re3Ru | 18.481 | data_[Re6Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7662]
_cell_length_b [8.8803]
_cell_length_c [4.8258]
_cell_angle_alpha [90.0000]
_cell_a... | 0.8367 |
MP-20 | mp-8 | Re | 20.53 | data_[Re2]
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 [2.7811]
_cell_length_b [2.7811]
_cell_length_c [4.4971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... | 0.9295 |
MP-20 | mp-697038 | Ba2H6Ru | 4.81 | data_[Ba8H24Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0786]
_cell_length_b [8.0786]
_cell_length_c [8.0786]
_ce... | 0.2178 |
MP-20 | mp-977390 | Ta3Ru | 15.768 | data_[Ta12Ru4]
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 [Fm-3m]
_cell_length_a [6.4733]
_cell_length_b [6.4733]
_cell_length_c [6.4733]
_cell_angle_alpha [90.0000]
_cell... | 0.7139 |
MP-20 | mp-1184771 | Ir3Rh | 19.481 | data_[Ir3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8692]
_cell_length_b [3.8692]
_cell_length_c [3.8692]
_cell_angle_alpha [90.0000]
_cell_... | 0.882 |
MP-20 | mp-1025212 | InAsPt5 | 16.342 | data_[In1As1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0650]
_cell_length_b [4.0650]
_cell_length_c [7.1648]
_... | 0.7399 |
MP-20 | mp-778617 | Ni3OF5 | 4.632 | data_[Ni6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7074]
_cell_length_b [5.6329]
_cell_length_c [7.7814]
_cell_a... | 0.2097 |
MP-20 | mp-1113700 | Rb2YAgCl6 | 3.083 | data_[Rb8Y4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
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 [10.7732]
_cell_length_b [10... | 0.1396 |
MP-20 | mp-686717 | Fe2NiSe4 | 6.977 | data_[Fe2Ni1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4579]
_cell_length_b [6.0388]
_cell_length_c [6.4468]
_cell... | 0.3159 |
MP-20 | mp-979267 | Ta2FeMo | 13.62 | data_[Ta8Fe4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3039]
_cell_length_b [6.3039]
_cell_length_c [6.3039]
_c... | 0.6167 |
MP-20 | mp-867281 | Tc3Pt | 13.812 | data_[Tc6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5550]
_cell_length_b [5.5550]
_cell_length_c [4.4003]
_cell_angle_alpha [90.0000]
_ce... | 0.6253 |
MP-20 | mp-22885 | XeF2 | 3.871 | data_[Xe2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Xe 2.6000 2.16 0.6200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4837]
_cell_length_b [4.4837]
_cell_length_c [7.2248]
_cell_angle_alpha [90.0000]
_cell_ang... | 0.1753 |
MP-20 | mp-946 | PrIr2 | 15.128 | data_[Pr8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7269]
_cell_length_b [7.7269]
_cell_length_c [7.7269]
_cell_angle_alpha [90.0000]
_cell... | 0.6849 |
MP-20 | mp-1024990 | LuB2Ir3 | 15.927 | data_[Lu1B2Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [5.4403]
_cell_length_b [5.4403]
_cell_length_c [3.1453]
_ce... | 0.7211 |
MP-20 | mp-1894 | WC | 15.35 | data_[W1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9283]
_cell_length_b [2.9283]
_cell_length_c [2.8529]
_cell_angle_alpha [90.0000]
_cell_angl... | 0.695 |
MP-20 | mp-753845 | LiCuO2 | 3.715 | data_[Li4Cu4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3636]
_cell_length_b [5.4497]
_cell_length_c [6.7964]
_cell_a... | 0.1682 |
MP-20 | mp-1067236 | CdPt3 | 17.476 | data_[Cd2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8053]
_cell_length_b [7.9284]
_cell_length_c [2.8805]
_cell_angle_alpha [90.0000]
_cell_a... | 0.7912 |
MP-20 | mp-2164 | Mo3S4 | 5.051 | data_[Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2889]
_cell_length_b [9.2889]
_cell_length_c [10.9841]
_cell_angle_alpha [90.0000]
_cell_a... | 0.2287 |
MP-20 | mp-8799 | RbNaS | 2.718 | data_[Rb2Na2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7356]
_cell_length_b [4.7356]
_cell_length_c [7.6576]
_ce... | 0.1231 |
MP-20 | mp-1111374 | K3SbCl6 | 2.1 | data_[K12Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2625]
_cell_length_b [11.2625]
_cell_length_c [11.2625]... | 0.0951 |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 29