Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1217171 | TiAlFe | data_[Ti8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0015]
_cell_length_b [4.9647]
_cell_length_c [8.4440]
_ce... |
mp-753371 | LiCuS | data_[Li8Cu8S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.1669]
_cell_length_b [10.1669]
_cell_length_c [4.7645]
_... |
mp-30755 | La2Sn5Rh3 | data_[La8Sn20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9672]
_cell_length_b [13.0664]
_cell_length_c [6.4736]... |
mp-1205933 | Sm2CdAu2 | data_[Sm4Cd2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1205]
_cell_length_b [8.1205]
_cell_length_c [3.7859]
_... |
mp-1025137 | NpNi5 | data_[Np1Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8291]
_cell_length_b [4.8291]
_cell_length_c [3.9469]
_cell_angle_alpha [90.0000]
_cell... |
mp-1030107 | Te6MoW3Se2 | data_[Te6Mo1W3Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4980]
_cell_length_b [3.498... |
mp-1224717 | Gd3SOF5 | data_[Gd6S2O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.5340]
_cell_length_b [3.7518]
_c... |
mp-3896 | Y(SiIr)2 | data_[Y2Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1400]
_cell_length_b [4.1400]
_cell_length_c [9.8559]
_ce... |
mp-1227508 | BiSbSe3 | data_[Bi4Sb4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.4179]
_cell_length_b [4.1137]
_cell_length_c [11.6356]
... |
mp-21080 | La(NiSn)2 | data_[La2Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4814]
_cell_length_b [4.4814]
_cell_length_c [10.5006]
... |
mp-1226264 | Cr4GaS8 | data_[Cr16Ga4S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.9238]
_cell_length_b [9.9238]
_cell_length_c [9.9238]
_c... |
mp-1185999 | MgPb2 | data_[Mg2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5157]
_cell_length_b [3.5157]
_cell_length_c [16.0338]
_cell_angle_alpha [90.0000]
_cell... |
mp-866280 | CaSmRh2 | data_[Ca4Sm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9239]
_cell_length_b [6.9239]
_cell_length_c [6.9239]
_c... |
mp-1113034 | Cs2KSbBr6 | data_[Cs8K4Sb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9756]
_cell_length_b [11... |
mp-1025296 | SnPPd5 | data_[Sn1P1Pd5]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0011]
_cell_length_b [4.0011]
_cell_length_c [7.0391]
_ce... |
mp-626417 | CsH3O2 | data_[Cs2H6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4266]
_cell_length_b [4.4362]
_cell_length_c [8.1302]
_cell_a... |
mp-12978 | SnO2 | data_[Sn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.7930]
_cell_length_b [5.8308]
_cell_length_c [5.3134]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1225215 | EuGaCu | data_[Eu4Ga4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2714]
_cell_length_b [4.5327]
_cell_length_c [7.3819]
_c... |
mp-1214693 | Ba2DyCoCu2O7 | data_[Ba2Dy1Co1Cu2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
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 [Pmmm]
_cell_length_... |
mp-755744 | Co3OF5 | data_[Co6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7636]
_cell_length_b [3.0944]
_cell_length_c [14.1875]
_cell... |
mp-10094 | Tm5(ReO6)2 | data_[Tm10Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2849]
_cell_length_b [5.6248]
_cell_length_c [7.4493]
_c... |
mp-3278 | Pr(SiPd)2 | data_[Pr2Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2604]
_cell_length_b [4.2604]
_cell_length_c [10.0005]
... |
mp-1186840 | Pu3Au | data_[Pu6Au2]
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 [6.5930]
_cell_length_b [6.5930]
_cell_length_c [5.3264]
_cell_angle_alpha [90.0000]
_ce... |
mp-27360 | ReBiO4 | data_[Re4Bi4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8632]
_cell_length_b [15.3462]
_cell_length_c [5.6002]
_ce... |
mp-1017629 | MgNiH3 | data_[Mg1Ni1H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3286]
_cell_length_b [3.3286]
_cell_length_c [3.3286]
_cel... |
mp-755032 | Cu3(TeO5)2 | data_[Cu3Te2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2073]
_cell_length_b [5.5072]
_cell_length_c [7.7772]
_cell... |
mp-1276430 | FeNiO3 | data_[Fe6Ni6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.0517]
_cell_length_b [5.0517]
_cell_length_c [13.7462]
_cell... |
mp-2583 | TiRh | data_[Ti1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9819]
_cell_length_b [2.9819]
_cell_length_c [3.3839]
_cell_angle_alpha [90.0000]
_cell... |
mp-30710 | Pr2Zn17 | data_[Pr6Zn51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0797]
_cell_length_b [9.0797]
_cell_length_c [13.3337]
_cell_angle_alpha [90.0000]
_cell... |
mp-16358 | ZnNi2Ge | data_[Zn4Ni8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8109]
_cell_length_b [5.8109]
_cell_length_c [5.8109]
_c... |
mp-568971 | Ag2Se | data_[Ag8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7743]
_cell_length_b [4.9704]
_cell_length_c [7.1468]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215580 | Zn5SeS4 | data_[Zn10Se2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8922]
_cell_length_b [3.8922]
_cell_length_c [27.5084]
_c... |
mp-2849 | US2 | data_[U3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2497]
_cell_length_b [7.2497]
_cell_length_c [3.9340]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1189783 | PrAlPd2 | data_[Pr4Al4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6054]
_cell_length_b [7.0976]
_cell_length_c [5.9237]
_ce... |
mvc-4111 | Ca2VSbO6 | data_[Ca4V2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5133]
_cell_length_b [7.75... |
mp-1212668 | GaAg(SO4)2 | data_[Ga2Ag2S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0766]
_cell_length_b [5.1910... |
mp-1227440 | Bi2Sb2(TeSe)3 | data_[Bi6Sb6Te9Se9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2554]
_cell_length_b [4.25... |
mp-1246058 | Ca4ReN4 | data_[Ca8Re2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0400]
_cell_length_b [6.0951]
_cell_length_c [8.5019]
_cell_... |
mp-1025386 | HgPPt5 | data_[Hg1P1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
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 [3.9833]
_cell_length_b [3.9833]
_cell_length_c [7.2191]
_ce... |
mp-1188312 | EuGePd2 | data_[Eu4Ge4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6403]
_cell_length_b [7.1659]
_cell_length_c [5.8660]
_ce... |
mp-28954 | Tl2PdSe2 | data_[Tl4Pd2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2111]
_cell_length_b [11.5935]
_cell_length_c [3.7468]
_c... |
mp-12324 | CsVP2S7 | data_[Cs2V2P4S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.7019]
_cell_length_b [9.7692]
_c... |
mp-30376 | ErInAu2 | data_[Er4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9741]
_cell_length_b [6.9741]
_cell_length_c [6.9741]
_c... |
mp-1225054 | Fe4TeSe3 | data_[Fe8Te2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6262]
_cell_length_b [7.3744]
_cell_length_c [12.5447]
_c... |
mp-11482 | MoIr3 | data_[Mo2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5467]
_cell_length_b [5.5467]
_cell_length_c [4.4231]
_cell_angle_alpha [90.0000]
_ce... |
mp-862819 | PaInAu2 | data_[Pa4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0631]
_cell_length_b [7.0631]
_cell_length_c [7.0631]
_c... |
mp-1228081 | BaHgPb | data_[Ba4Hg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3255]
_cell_length_b [5.4656]
_cell_length_c [8.5946]
_c... |
mp-15221 | Rb2NbCuS4 | data_[Rb16Nb8Cu8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.6070]
_cell_length_b [13.... |
mp-13683 | HfGe2 | data_[Hf4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8390]
_cell_length_b [14.9574]
_cell_length_c [3.7945]
_cell_angle_alpha [90.0000]
_cell_... |
mp-977433 | ErMgZn2 | data_[Er4Mg4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7924]
_cell_length_b [6.7924]
_cell_length_c [6.7924]
_c... |
mp-1095029 | Dy(BIr)2 | data_[Dy8B16Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7545]
_cell_length_b [9.3187]
_cell_length_c [10.9974]
_c... |
mp-5544 | U(Al2Cr)4 | data_[U2Al16Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8715]
_cell_length_b [8.8715]
_cell_length_c [4.9982]
_c... |
mp-1222968 | LaSm3Cr4O12 | data_[La1Sm3Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4599]
_cell_length_b [7.7915... |
mp-1114370 | Rb2TlBiF6 | data_[Rb8Tl4Bi4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8635]
_cell_length_b [9.8... |
mp-4448 | Y3AlC | data_[Y3Al1C1]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8953]
_cell_length_b [4.8953]
_cell_length_c [4.8953]
_cell_... |
mp-13065 | Ho2O3 | data_[Ho2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6558]
_cell_length_b [3.6558]
_cell_length_c [5.8586]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1227366 | BeZn3S4 | data_[Be3Zn9S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7516]
_cell_length_b [3.7516]
_cell_length_c [36.8916]
_cel... |
mp-1189731 | PBr3O | data_[P4Br12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [10.2519]
_cell_length_b [6.5642]
_cell_length_c [10.6004]
_c... |
mp-2439 | ZrNi5 | data_[Zr4Ni20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6938]
_cell_length_b [6.6938]
_cell_length_c [6.6938]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103090 | Pr3(NiGe)4 | data_[Pr6Ni8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1675]
_cell_length_b [4.1739]
_cell_length_c [24.0521]
_c... |
mp-20909 | La3In | data_[La3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0768]
_cell_length_b [5.0768]
_cell_length_c [5.0768]
_cell_angle_alpha [90.0000]
_cell_... |
mp-568967 | Ba5Ga5Sn | data_[Ba5Ga5Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.0757]
_cell_length_b [6.0757]
_cell_length_c [11.0096]
_... |
mp-16753 | LuCuPb | data_[Lu2Cu2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [4.5703]
_cell_length_b [4.5703]
_cell_length_c [7.2505]
_... |
mp-1184009 | GaCo3 | data_[Ga2Co6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0857]
_cell_length_b [5.0857]
_cell_length_c [4.1105]
_cell_angle_alpha [90.0000]
_ce... |
mp-1215200 | ZrTi | data_[Zr1Ti1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1090]
_cell_length_b [3.1090]
_cell_length_c [4.9205]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209373 | Rb3GdV2O8 | data_[Rb3Gd1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Gd 1.2000 1.8000 1.0750
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1373]
_cell_length_b [6.1373... |
mp-1025201 | Rb2PdCl4 | data_[Rb2Pd1Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.3125]
_cell_length_b [7.3125]
_cell_length_c [4.5029]
_... |
mp-3805 | Al(FeB)2 | data_[Al2Fe4B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9152]
_cell_length_b [11.0117]
_cell_length_c [2.8631]
_cel... |
mp-1001786 | LiScS2 | data_[Li3Sc3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6901]
_cell_length_b [3.6901]
_cell_length_c [18.2407]
_cel... |
mp-755167 | InCoO3 | data_[In4Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3138]
_cell_length_b [7.4352]
_cell_length_c [5.1241]
_cel... |
mp-1186378 | NdGdIr2 | data_[Nd4Gd4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Gd 1.2000 1.8000 1.0750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0260]
_cell_length_b [7.0260]
_cell_length_c [7.0260]
_c... |
mp-510456 | Zr(MoO4)2 | data_[Zr1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9599]
_cell_length_b [5.9599]
_cell_length_c [6.5814]
_cel... |
mp-1219108 | SmAlCu | data_[Sm4Al4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.5117]
_cell_length_b [5.5286]
_cell_length_c [7.6173]
_ce... |
mp-29828 | K2Cu2Te5 | data_[K8Cu8Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.5473]
_cell_length_b [7.7535]
_cell_length_c [12.1851]
_c... |
mp-1025289 | Ce2Fe2Si2C | data_[Ce4Fe4Si4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6315]
_cell_length_b [3.97... |
mp-1186162 | NaCu3Te2 | data_[Na3Cu9Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2770]
_cell_length_b [4.2770]
_cell_length_c [23.7429]
_c... |
mp-1246178 | Ba3WN3 | data_[Ba6W2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.4645]
_cell_length_b [8.4645]
_cell_length_c [5.6841]
_cell... |
mp-672702 | UInNi4 | data_[U4In4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0099]
_cell_length_b [7.0099]
_cell_length_c [7.0099]
_ce... |
mp-1247158 | Mg2CrCo3S8 | data_[Mg6Cr3Co9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0164]
_cell_length_b [7.01... |
mp-1206921 | TiAsPd | data_[Ti3As3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5944]
_cell_length_b [6.5944]
_cell_length_c [3.8252]
_c... |
mp-567517 | Er5(CoTe)2 | data_[Er20Co8Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9103]
_cell_length_b [14.9376]
_cell_length_c [14.9490]
... |
mp-23516 | Cu2Cl2O | data_[Cu16Cl16O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.0472]
_cell_length_b [9.4144]
_cell_length_c [9.9560]
_ce... |
mp-1186643 | PmSmGa2 | data_[Pm4Sm4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3293]
_cell_length_b [7.3293]
_cell_length_c [7.3293]
_c... |
mp-1186631 | PmPrTl2 | data_[Pm4Pr4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8239]
_cell_length_b [7.8239]
_cell_length_c [7.8239]
_c... |
mp-755549 | Y2TeO6 | data_[Y4Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.0048]
_cell_length_b [5.0048]
_cell_length_c [10.1139]
_... |
mp-1185080 | KRb3 | data_[K1Rb3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.0194]
_cell_length_b [7.0194]
_cell_length_c [7.0194]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1221427 | Na(V3S4)2 | data_[Na1V6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.1131]
_cell_length_b [9.1131]
_cell_length_c [3.2586]
_cell_an... |
mp-1084828 | La3Al | data_[La6Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2654]
_cell_length_b [7.2654]
_cell_length_c [5.4626]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079703 | SmSb2Au | data_[Sm2Sb4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4231]
_cell_length_b [4.4231]
_cell_length_c [10.2805]
... |
mp-1079508 | Y2InCu2 | data_[Y4In2Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6799]
_cell_length_b [7.6799]
_cell_length_c [3.6732]
_ce... |
mp-568388 | BiI | data_[Bi8I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6162]
_cell_length_b [4.4184]
_cell_length_c [11.0397]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-7090 | NaMgSb | data_[Na2Mg2Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6588]
_cell_length_b [4.6588]
_cell_length_c [7.7191]
_... |
mp-1211687 | La5Ge3O | data_[La10Ge6O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0523]
_cell_length_b [9.0523]
_cell_length_c [6.6288]
... |
mp-1189098 | Eu3(AlAs2)2 | data_[Eu12Al8As16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3280]
_cell_length_b [10.3859]
_cell_length_c [6.7697]... |
mp-1189762 | EuCrO3 | data_[Eu4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5565]
_cell_length_b [7.7319]
_cell_length_c [5.4786]
_cel... |
mp-20217 | EuPS3 | data_[Eu4P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6912]
_cell_length_b [7.5680]
_cell_length_c [11.3475]
_ce... |
mp-1181189 | H2 | data_[H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0394]
_cell_length_b [9.8543]
_cell_length_c [4.3726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
mp-1079093 | TmSiAg | data_[Tm3Si3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0113]
_cell_length_b [7.0113]
_cell_length_c [4.1356]
_c... |
mp-1103859 | Tl(Mo3S4)2 | data_[Tl3Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
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 [9.3379]
_cell_length_b [9.3379]
_cell_length_c [11.7418]
_ce... |
mp-19389 | Ba2NdMoO6 | data_[Ba4Nd2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0746]
_cell_length_b [6.07... |
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