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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
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