Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-2806 | YbSn | data_[Yb1Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4757]
_cell_length_b [3.4757]
_cell_length_c [4.5111]
_cell_angle_alpha [90.0000]
_cell... |
mp-8093 | Ba2Cd | data_[Ba4Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3159]
_cell_length_b [4.3159]
_cell_length_c [15.3225]
_cell_angle_alpha [90.0000]
_cel... |
mp-1113352 | CsRb2TmCl6 | data_[Cs4Rb8Tm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.7255]
_cell_length_b [... |
mp-1071731 | HoSiNi4 | data_[Ho2Si2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0466]
_cell_length_b [8.1510]
_cell_length_c [3.9469]
_ce... |
mp-1211717 | K2RbTmV2O8 | data_[K2Rb1Tm1V2O8]
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
Tm 1.2500 1.7500 1.0950
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 [... |
mp-30454 | ErBiPt | data_[Er4Bi4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7133]
_cell_length_b [6.7133]
_cell_length_c [6.7133]
_c... |
mp-22376 | PrNiSn | data_[Pr3Ni3Sn3]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4680]
_cell_length_b [7.4680]
_cell_length_c [4.0744]
_c... |
mp-1223511 | LaGd(CuSn)4 | data_[La1Gd1Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.4897]
_cell_length_b [4.4... |
mp-1206235 | PrSiI | data_[Pr2Si2I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1812]
_cell_length_b [4.1812]
_cell_length_c [12.0344]
_ce... |
mp-1226928 | CdCuP2O7 | data_[Cd2Cu2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9466]
_cell_length_b [8.7158]
... |
mp-20015 | As2PbO6 | data_[As2Pb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [4.9736]
_cell_length_b [4.9736]
_cell_length_c [5.5776]
_cel... |
mp-1227357 | Be3Cu | data_[Be27Cu9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1697]
_cell_length_b [4.1697]
_cell_length_c [20.3970]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183541 | Cd2RhAu | data_[Cd8Rh4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6184]
_cell_length_b [6.6184]
_cell_length_c [6.6184]
_c... |
mp-862553 | Sc2BeRu | data_[Sc8Be4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4017]
_cell_length_b [6.4017]
_cell_length_c [6.4017]
_c... |
mp-1173475 | Nb2SiTe4 | data_[Nb4Si2Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3939]
_cell_length_b [7.8733]
_cell_length_c [8.0542]
_cel... |
mp-1080834 | Na5As4 | data_[Na10As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5103]
_cell_length_b [4.6586]
_cell_length_c [9.6778]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218771 | Sr2NdCu2RuO9 | data_[Sr2Nd1Cu2Ru1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length... |
mp-755096 | Li2TiNiO4 | data_[Li2Ti1Ni1O4]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1028]
_cell_length_b [2.975... |
mp-569393 | GdTlSe2 | data_[Gd3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2431]
_cell_length_b [4.2431]
_cell_length_c [23.3371]
_c... |
mp-865874 | Li2AgHg | data_[Li8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5018]
_cell_length_b [6.5018]
_cell_length_c [6.5018]
_c... |
mp-30208 | YCuP2 | data_[Y2Cu2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7269]
_cell_length_b [3.7269]
_cell_length_c [9.7717]
_cell... |
mp-1018668 | CeTlCd | data_[Ce2Tl2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0894]
_cell_length_b [5.0894]
_cell_length_c [7.0258]... |
mp-755989 | V4CoNiO12 | data_[V8Co2Ni2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0912]
_cell_length_b [9.1112]... |
mp-1069558 | Ce2SeN2 | data_[Ce2Se1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9384]
_cell_length_b [3.9384]
_cell_length_c [7.0103]
_cel... |
mp-973126 | ScBiPd2 | data_[Sc4Bi4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7673]
_cell_length_b [6.7673]
_cell_length_c [6.7673]
_c... |
mp-1189727 | La(CoB)4 | data_[La2Co8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.1400]
_cell_length_b [7.1400]
_cell_length_c [3.7922]
_ce... |
mp-753204 | Li5Si2NiO8 | data_[Li10Si4Ni2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.3143]
_cell_length_b [7.422... |
mp-1221298 | Na2UI6 | data_[Na8U4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [10.1089]
_cell_length_b [12.5197]
_cell_length_c [16.0093]
_ce... |
mp-1113364 | Cs2CuBiI6 | data_[Cs8Cu4Bi4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9708]
_cell_length_b [11... |
mp-1070580 | Al3Ru2 | data_[Al6Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.1050]
_cell_length_b [3.1050]
_cell_length_c [14.3261]
_cell_angle_alpha [90.0000]
_cel... |
mp-861658 | LiMnPt2 | data_[Li4Mn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0850]
_cell_length_b [6.0850]
_cell_length_c [6.0850]
_c... |
mp-1077063 | La2Bi | data_[La8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7323]
_cell_length_b [4.7323]
_cell_length_c [18.5222]
_cell_angle_alpha [90.0000]
_cel... |
mp-20918 | ErTiSi | data_[Er2Ti2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0143]
_cell_length_b [4.0143]
_cell_length_c [7.5169]
_... |
mp-1518017 | Eu2HfWO6 | data_[Eu8Hf4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hf 1.3000 1.5500 0.8500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2600]
_cell_length_b [8.260... |
mp-1207908 | V4CuO11 | data_[V8Cu2O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.1791]
_cell_length_b [3.6029]
_cell_length_c [7.3787]
_cell_a... |
mp-19376 | TiMnO3 | data_[Ti6Mn6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.2533]
_cell_length_b [5.2533]
_cell_length_c [13.9956]
_cel... |
mp-10091 | KV(CuSe2)2 | data_[K4V4Cu8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [7.7089]
_cell_length_b [18.785... |
mp-7095 | CeCoSi2 | data_[Ce4Co4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0589]
_cell_length_b [16.4865]
_cell_length_c [4.0180]
_c... |
mp-11469 | PrHg | data_[Pr1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8702]
_cell_length_b [3.8702]
_cell_length_c [3.8702]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754118 | Sr(AsO3)2 | data_[Sr1As2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [4.9471]
_cell_length_b [4.9471]
_cell_length_c [5.5233]
_cel... |
mp-1187322 | Tb3Y | data_[Tb6Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0461]
_cell_length_b [5.0461]
_cell_length_c [10.0806]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1006146 | Eu(MgBi)2 | data_[Eu1Mg2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8461]
_cell_length_b [4.8461]
_cell_length_c [7.8614]
_c... |
mp-8793 | Nd5(FeB3)2 | data_[Nd15Fe6B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4864]
_cell_length_b [5.4864]
_cell_length_c [24.4075]
_c... |
mp-11236 | MgZnAg2 | data_[Mg4Zn4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5129]
_cell_length_b [6.5129]
_cell_length_c [6.5129]
_c... |
mp-556185 | RbNaTiO3 | data_[Rb4Na4Ti4O12]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.9524]
_cell_length_b [11.1... |
mp-6509 | Sr3GaO4F | data_[Sr12Ga4O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8499]
_cell_length_b [6.8... |
mp-975522 | NdLuTl2 | data_[Nd4Lu4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6628]
_cell_length_b [7.6628]
_cell_length_c [7.6628]
_c... |
mp-1225893 | CsHF2 | data_[Cs1H1F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9658]
_cell_length_b [3.9658]
_cell_length_c [5.2494]
_cell... |
mp-759386 | Ce2Th2O7 | data_[Ce2Th2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9509]
_cell_length_b [3.9509]
_cell_length_c [11.1950]
_ce... |
mp-1095643 | NbCr2 | data_[Nb4Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8950]
_cell_length_b [4.8950]
_cell_length_c [8.1053]
_cell_angle_alpha [90.0000]
_ce... |
mp-20176 | DyPb3 | data_[Dy1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8979]
_cell_length_b [4.8979]
_cell_length_c [4.8979]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1091362 | Li(NdSi)2 | data_[Li2Nd4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4584]
_cell_length_b [7.4584]
_cell_length_c [4.2633]
_... |
mp-11228 | YAl | data_[Y4Al4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8328]
_cell_length_b [11.5474]
_cell_length_c [4.4826]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-11822 | Ca3GeN | data_[Ca3Ge1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8239]
_cell_length_b [4.8239]
_cell_length_c [4.8239]
_cel... |
mp-867803 | LiCa2Cd | data_[Li4Ca8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7613]
_cell_length_b [7.7613]
_cell_length_c [7.7613]
_c... |
mp-1227665 | BaSrGa4 | data_[Ba1Sr1Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.4102]
_cell_length_b [4.4102]
_cell_length_c [9.9224]
_... |
mp-1223968 | Ho2SiGe | data_[Ho4Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8810]
_cell_length_b [4.2704]
_cell_length_c [10.5857]
_c... |
mp-1183433 | BaYb3 | data_[Ba2Yb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.0123]
_cell_length_b [8.0123]
_cell_length_c [6.6704]
_cell_angle_alpha [90.0000]
_ce... |
mp-1094742 | MgCd5 | data_[Mg1Cd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.3520]
_cell_length_b [5.3520]
_cell_length_c [5.3981]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8054 | NaSc(GeO3)2 | data_[Na4Sc4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3707]
_cell_length_b [9.2... |
mp-1189186 | Ta2B2Os | data_[Ta8B8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [5.9093]
_cell_length_b [5.9093]
_cell_length_c [6.9103]
_ce... |
mp-1225906 | DyMn6GaGe5 | data_[Dy1Mn6Ga1Ge5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1723]
_cell_length_b [5.... |
mp-581733 | Zr4CuP | data_[Zr8Cu2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.4995]
_cell_length_b [6.4995]
_cell_length_c [5.4254]
_ce... |
mp-1206839 | Eu2ErTaO6 | data_[Eu8Er4Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Er 1.2400 1.7500 1.0300
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3496]
_cell_length_b [8.3... |
mp-1184424 | DyYIn2 | data_[Dy4Y4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5456]
_cell_length_b [7.5456]
_cell_length_c [7.5456]
_cel... |
mp-1227741 | BaSr(MoO3)2 | data_[Ba4Sr4Mo8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2340]
_cell_length_b [8.2... |
mp-772334 | Li3Fe3TeO8 | data_[Li6Fe6Te2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5229]
_cell_length_b [6.1... |
mp-1225455 | Dy2Ga3Co | data_[Dy4Ga6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2925]
_cell_length_b [4.2996]
_cell_length_c [7.0553]
_cel... |
mp-569074 | Th7Pt3 | data_[Th14Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0779]
_cell_length_b [10.0779]
_cell_length_c [6.4630]
_cell_angle_alpha [90.0000]
_c... |
mp-1183591 | Cd | data_[Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2910]
_cell_length_b [3.2910]
_cell_length_c [9.6680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1183085 | Ac2Mg | data_[Ac8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0918]
_cell_length_b [18.7297]
_cell_length_c [6.0746]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1832 | LaPt5 | data_[La1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4569]
_cell_length_b [5.4569]
_cell_length_c [4.4483]
_cell_angle_alpha [90.0000]
_cell... |
mp-1018137 | KEuS2 | data_[K3Eu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1975]
_cell_length_b [4.1975]
_cell_length_c [22.0733]
_cell_... |
mp-1206393 | CeInNi4 | data_[Ce4In4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [7.0642]
_cell_length_b [7.0642]
_cell_length_c [7.0642]
_... |
mp-771977 | TmAsO4 | data_[Tm4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.0672]
_cell_length_b [7.0672]
_cell_length_c [6.3069]
... |
mp-1215890 | YThN2 | data_[Y1Th1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5880]
_cell_length_b [3.5880]
_cell_length_c [5.0423]
_cell... |
mp-1185621 | MgZn2Ir | data_[Mg4Zn8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2078]
_cell_length_b [6.2078]
_cell_length_c [6.2078]
_c... |
mp-555280 | ZnS | data_[Zn18S18]
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 [3.8573]
_cell_length_b [3.8573]
_cell_length_c [56.6438]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-10260 | Ni3Sb | data_[Ni12Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9185]
_cell_length_b [5.9185]
_cell_length_c [5.9185]
_cell_angle_alpha [90.0000]
_cell... |
mp-82 | Tl | data_[Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5489]
_cell_length_b [3.5489]
_cell_length_c [5.7384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-759562 | FeOF | data_[Fe6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7152]
_cell_length_b [3.0990]
_cell_length_c [10.6110]
_cell_an... |
mp-1221179 | Na4Li(NiO2)5 | data_[Na8Li2Ni10O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.6426]
_cell_length_b [2.... |
mp-1114505 | RbTlBr3 | data_[Rb8Tl8Br24]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8007]
_cell_length_b [11.8007]
_cell_length_c [11.8007... |
mp-1095038 | La2CuGe6 | data_[La4Cu2Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2279]
_cell_length_b [4.1750]
_cell_length_c [22.2780]
_... |
mp-29283 | CaMn7O12 | data_[Ca2Mn14O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4955]
_cell_length_b [7.4955]
_cell_length_c [7.4955]
_ce... |
mp-14100 | Cd(RhO2)2 | data_[Cd8Rh16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.9268]
_cell_length_b [8.9268]
_cell_length_c [8.9268]
_c... |
mp-9973 | VB | data_[V4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0529]
_cell_length_b [8.0347]
_cell_length_c [2.9693]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-30300 | Cs3As5O9 | data_[Cs3As5O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.7044]
_cell_length_b [8.7044]
_cell_length_c [6.2108]
_cell... |
mp-643385 | SrHIO | data_[Sr4H4I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8003]
_cell_length_b [4.2931]
_... |
mp-862832 | PaTlO3 | data_[Pa1Tl1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4056]
_cell_length_b [4.4056]
_cell_length_c [4.4056]
_cel... |
mp-756580 | SrLu2O4 | data_[Sr4Lu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3126]
_cell_length_b [10.9466]
_cell_length_c [11.0249]
_c... |
mp-1247148 | Mg2Cr3GaS8 | data_[Mg6Cr9Ga3S24]
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
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2455]
_cell_length_b [7.24... |
mp-1183776 | CeErIn2 | data_[Ce4Er4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6048]
_cell_length_b [7.6048]
_cell_length_c [7.6048]
_c... |
mp-1070735 | K(FeSe)2 | data_[K2Fe4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7836]
_cell_length_b [3.7836]
_cell_length_c [14.9065]
_c... |
mp-1226022 | Eu(GaP)2 | data_[Eu4Ga8P8]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.4040]
_cell_length_b [3.9568]
_cell_length_c [12.1923]
_cel... |
mp-1219878 | Pr2Mn4Co13 | data_[Pr6Mn12Co39]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4982]
_cell_length_b [8.4982]
_cell_length_c [12.4221]
_... |
mp-29622 | Ba(MgSn)2 | data_[Ba4Mg8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.9484]
_cell_length_b [4.9484]
_cell_length_c [24.4882]
... |
mp-1219587 | RbNbWO6 | data_[Rb4Nb4W4O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4122]
_cell_length_b [7.4805... |
mp-4321 | MgSiO3 | data_[Mg8Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5193]
_cell_length_b [8.9528]
_cell_length_c [5.0600]
_cel... |
mp-1186573 | PmGaRh2 | data_[Pm4Ga4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5841]
_cell_length_b [6.5841]
_cell_length_c [6.5841]
_c... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.