Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1170 | SnS2 | data_[Sn1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6999]
_cell_length_b [3.6999]
_cell_length_c [6.9780]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1077596 | EuInPt4 | data_[Eu4In4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6962]
_cell_length_b [7.6962]
_cell_length_c [7.6962]
_... |
mp-1214010 | Ca3TlO5 | data_[Ca12Tl4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3768]
_cell_length_b [11.3323]
_cell_length_c [13.6474]
_... |
mp-20642 | NdMn12 | data_[Nd2Mn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3680]
_cell_length_b [8.3680]
_cell_length_c [4.7237]
_cell_angle_alpha [90.0000]
_cel... |
mp-1206075 | Ba2PaInO6 | data_[Ba8Pa4In4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7265]
_cell_length_b [8.7... |
mp-557686 | ZrVF6 | data_[Zr4V4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2996]
_cell_length_b [8.2996]
_cell_length_c [8.2996]
_cell... |
mp-1039529 | CaMg2 | data_[Ca6Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1324]
_cell_length_b [6.1324]
_cell_length_c [15.7056]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223029 | LaThPb6 | data_[La1Th1Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Th 1.3000 1.8000 1.0800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9161]
_cell_length_b [4.9161]
_cell_length_c [10.1059]
... |
mp-1221950 | MgMn2O3 | data_[Mg1Mn2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.1169]
_cell_length_b [3.1169]
_cell_length_c [7.6847]
_cel... |
mp-15686 | Li2CuAs | data_[Li4Cu2As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1936]
_cell_length_b [4.1936]
_cell_length_c [7.9321]... |
mp-865666 | Li2TlAg | data_[Li8Tl4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6256]
_cell_length_b [6.6256]
_cell_length_c [6.6256]
_c... |
mp-1018128 | ScAg2 | data_[Sc2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5813]
_cell_length_b [3.5813]
_cell_length_c [8.9662]
_cell_angle_alpha [90.0000]
_cell... |
mp-998608 | TlAgBr3 | data_[Tl6Ag6Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [7.6802]
_cell_length_b [7.6802]
_cell_length_c [18.5650]
_c... |
mp-4344 | HoTaO4 | data_[Ho4Ta4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0206]
_cell_length_b [11.0343]
_cell_length_c [5.0910]
_ce... |
mp-1215395 | Zr3TiFe8 | data_[Zr9Ti3Fe24]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9493]
_cell_length_b [4.9493]
_cell_length_c [24.2205]
_c... |
mp-1206451 | Nd2Co2I | data_[Nd4Co4I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9860]
_cell_length_b [3.9860]
_cell_length_c [17.5802]
... |
mp-1112988 | Cs2NaGaCl6 | data_[Cs8Na4Ga4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5303]
_cell_length_b [... |
mp-1226775 | CdPdF4 | data_[Cd2Pd2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5392]
_cell_length_b [5.5149]
_cell_length_c [5.5176]
_ce... |
mp-1037 | PrPt5 | data_[Pr1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4451]
_cell_length_b [5.4451]
_cell_length_c [4.4358]
_cell_angle_alpha [90.0000]
_cell... |
mp-30565 | Th7Co3 | data_[Th14Co6]
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 [P6_3mc]
_cell_length_a [9.7516]
_cell_length_b [9.7516]
_cell_length_c [6.1842]
_cell_angle_alpha [90.0000]
_cel... |
mp-1184001 | GaCu3 | data_[Ga2Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6168]
_cell_length_b [3.6168]
_cell_length_c [7.6801]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184108 | Er2TlZn | data_[Er8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3040]
_cell_length_b [7.3040]
_cell_length_c [7.3040]
_c... |
mp-1104963 | Er(FeGe)6 | data_[Er1Fe6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1141]
_cell_length_b [5.1141]
_cell_length_c [8.1201]
_... |
mp-1212423 | Ho12In3Fe2 | data_[Ho24In6Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.6087]
_cell_length_b [9.6087]
_cell_length_c [9.9132]
... |
mp-1094643 | MgGa | data_[Mg6Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2014]
_cell_length_b [3.2231]
_cell_length_c [6.8090]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1250 | Lu2In | data_[Lu4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2829]
_cell_length_b [5.2829]
_cell_length_c [6.6091]
_cell_angle_alpha [90.0000]
_ce... |
mp-644499 | CeCoGeH | data_[Ce2Co2Ge2H2]
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
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0010]
_cell_length_b [4.0... |
mp-20834 | CeSnPt | data_[Ce4Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4055]
_cell_length_b [4.6501]
_cell_length_c [8.0844]
_ce... |
mp-22724 | CeZrF7 | data_[Ce2Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.3641]
_cell_length_b [5.9108]
_cell_length_c [8.5643]
_cel... |
mp-3992 | PrSF | data_[Pr2S2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9908]
_cell_length_b [3.9908]
_cell_length_c [7.0202]
_cell... |
mp-569759 | Zn5(BRh2)4 | data_[Zn10B8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.5188]
_cell_length_b [17.1573]
_cell_length_c [2.8684]
_c... |
mp-1218003 | TaAl2Ni9 | data_[Ta1Al2Ni9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6061]
_cell_length_b [3.6061]
_cell_length_c [10.6495]
... |
mp-1206859 | ErBrO | data_[Er2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8220]
_cell_length_b [3.8220]
_cell_length_c [8.6235]
_ce... |
mp-2165 | SmZn | data_[Sm1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6380]
_cell_length_b [3.6380]
_cell_length_c [3.6380]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103784 | Tb(Ni2As)2 | data_[Tb2Ni8As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2525]
_cell_length_b [7.2525]
_cell_length_c [3.7754]... |
mp-972808 | SiO2 | data_[Si4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0224]
_cell_length_b [8.2639]
_cell_length_c [5.0986]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-14552 | Ba2SrUO6 | data_[Ba4Sr2U2O12]
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
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3003]
_cell_length_b [6.37... |
mp-10342 | Tm6ReO12 | data_[Tm18Re3O36]
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 [R-3]
_cell_length_a [9.7002]
_cell_length_b [9.7002]
_cell_length_c [9.2120]
_cel... |
mp-1113029 | Cs2KTlCl6 | data_[Cs8K4Tl4Cl24]
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
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2909]
_cell_length_b [11... |
mp-1206825 | Lu2SeO2 | data_[Lu2Se1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7520]
_cell_length_b [3.7520]
_cell_length_c [6.7105]
_cel... |
mp-864762 | LiMg2Zn | data_[Li4Mg8Zn4]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6297]
_cell_length_b [6.6297]
_cell_length_c [6.6297]
_c... |
mp-637600 | Gd6CoBr10 | data_[Gd6Co1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4102]
_cell_length_b [9.1643]
_cell_length_c [9.2571]
_ce... |
mp-1229114 | Al(V4Sn)3 | data_[Al1V12Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.9335]
_cell_length_b [4.9429]
_cell_length_c [9.8032]
_cel... |
mp-756050 | TaCuO3 | data_[Ta8Cu8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5751]
_cell_length_b [8.6120]
_cell_length_c [6.8232]
_cel... |
mp-23262 | Bi2O3 | data_[Bi8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9333]
_cell_length_b [8.2764]
_cell_length_c [7.5278]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184979 | Li2AgPb | data_[Li8Ag4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6820]
_cell_length_b [6.6820]
_cell_length_c [6.6820]
_c... |
mp-867869 | Sm2AgRu | data_[Sm8Ag4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1687]
_cell_length_b [7.1687]
_cell_length_c [7.1687]
_c... |
mp-1216091 | Y2Ga3Ni | data_[Y2Ga3Ni1]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2773]
_cell_length_b [4.2773]
_cell_length_c [7.5446]
_cell... |
mp-6278 | Zn2Cu(AsO4)2 | data_[Zn2Cu1As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1578]
_cell_length_b [5.4175... |
mp-22543 | Sr2GdCu3(PbO4)2 | data_[Sr2Gd1Cu3Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-1085 | UOs2 | data_[U8Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5205]
_cell_length_b [7.5205]
_cell_length_c [7.5205]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-30490 | Mg3Cd | data_[Mg6Cd2]
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 [P6_3/mmc]
_cell_length_a [6.3115]
_cell_length_b [6.3115]
_cell_length_c [5.1395]
_cell_angle_alpha [90.0000]
_ce... |
mp-862872 | PmAgAu2 | data_[Pm4Ag4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0590]
_cell_length_b [7.0590]
_cell_length_c [7.0590]
_c... |
mp-1218727 | Sr2PrCu3(PbO4)2 | data_[Sr2Pr1Cu3Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a... |
mp-1223840 | HoAgTe2 | data_[Ho1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5054]
_cell_length_b [4.5054]
_cell_length_c [7.3167]
_ce... |
mp-865096 | NaHoTl2 | data_[Na4Ho4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5634]
_cell_length_b [7.5634]
_cell_length_c [7.5634]
_c... |
mp-1210532 | Lu5BiPd2 | data_[Lu20Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6085]
_cell_length_b [7.6085]
_cell_length_c [13.7331]... |
mp-1224001 | Ho3Er3MnBi2 | data_[Ho3Er3Mn1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2519]
_cell_length_b [8.... |
mp-1174187 | Li4Mn3CoO8 | data_[Li4Mn3Co1O8]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.3826]
_cell_length_b [2.882... |
mp-752879 | Li3Ti4O8 | data_[Li9Ti12O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9464]
_cell_length_b [5.9464]
_cell_length_c [14.7068]
_c... |
mp-1518059 | Ca2YBiO6 | data_[Ca4Y2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [5.8767]
_cell_length_b [5.87... |
mp-1210289 | Na3TmCl6 | data_[Na6Tm2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9561]
_cell_length_b [7.2552]
_cell_length_c [12.3532]... |
mp-1114171 | K2NaRuF6 | data_[K8Na4Ru4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5350]
_cell_length_b [8.535... |
mp-998176 | RbPbBr3 | data_[Rb2Pb2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4592]
_cell_length_b [8.4692]
_cell_length_c [5.9804]
_cell... |
mp-21117 | FeGe2 | data_[Fe4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.9145]
_cell_length_b [5.9145]
_cell_length_c [4.9479]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225643 | Er2Ga3Ni | data_[Er4Ga6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1466]
_cell_length_b [4.3250]
_cell_length_c [7.0242]
_cel... |
mp-753026 | ZnCoO3 | data_[Zn8Co8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5529]
_cell_length_b [8.5820]
_cell_length_c [5.0910]
_cel... |
mp-1039570 | CaMg2 | data_[Ca4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1292]
_cell_length_b [3.4841]
_cell_length_c [7.6903]
_cell_angle_alpha [90.0000]
_cell_... |
mp-5547 | Mg2B2O5 | data_[Mg4B4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1603]
_cell_length_b [6.2176]
_cell_length_c [9.3132]
_cell_a... |
mp-570229 | ThBr4 | data_[Th4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [6.9719]
_cell_length_b [6.9719]
_cell_length_c [13.6751]
_cell_angle_alpha [90.0000]
_ce... |
mp-1103076 | Sc3(SiNi)4 | data_[Sc6Si8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8583]
_cell_length_b [6.4797]
_cell_length_c [12.6909]
_c... |
mp-782 | Te2Pd | data_[Te2Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1163]
_cell_length_b [4.1163]
_cell_length_c [5.1707]
_cell_angle_alpha [90.0000]
_cell_... |
mp-16503 | HoAl2Ni | data_[Ho4Al8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0500]
_cell_length_b [10.1406]
_cell_length_c [6.8685]
_c... |
mp-31473 | K2Hg7 | data_[K2Hg7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1433]
_cell_length_b [7.1433]
_cell_length_c [6.5571]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1113750 | Rb2LaAgCl6 | data_[Rb8La4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
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 [11.0292]
_cell_length_b [... |
mp-1225594 | LaPbNO5 | data_[La2Pb2N2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.5453]
_cell_length_b [4.7021]... |
mp-1220183 | NdCoRu | data_[Nd4Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1935]
_cell_length_b [5.3051]
_cell_length_c [7.7074]
_ce... |
mp-23319 | RbVCl3 | data_[Rb2V2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1491]
_cell_length_b [7.1491]
_cell_length_c [6.2404]
_... |
mp-754942 | SrSm2O4 | data_[Sr8Sm16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.0769]
_cell_length_b [10.0769]
_cell_length_c [10.0769]... |
mp-998567 | InSnCl3 | data_[In6Sn6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.9744]
_cell_length_b [7.9744]
_cell_length_c [20.1164]
_c... |
mp-570099 | RbVBr3 | data_[Rb2V2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.5519]
_cell_length_b [7.5519]
_cell_length_c [6.5162]
_... |
mp-20340 | EuN | data_[Eu4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0789]
_cell_length_b [5.0789]
_cell_length_c [5.0789]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-756251 | Ba2LaCl7 | data_[Ba8La4Cl28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5246]
_cell_length_b [8.1670]
_cell_length_c [10.1639]
... |
mp-1071459 | GdZrSb | data_[Gd4Zr4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3146]
_cell_length_b [4.3146]
_cell_length_c [16.8005]
... |
mp-10455 | YTiGe | data_[Y4Ti4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0604]
_cell_length_b [4.0604]
_cell_length_c [15.4745]
_c... |
mp-753879 | Pr2S2O | data_[Pr8S8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6373]
_cell_length_b [7.2793]
_cell_length_c [7.1756]
_cell... |
mp-22050 | Hf2In5 | data_[Hf4In10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.4079]
_cell_length_b [10.4079]
_cell_length_c [3.0757]
_cell_angle_alpha [90.0000]
_c... |
mp-555159 | Pr2O3 | data_[Pr12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6665]
_cell_length_b [3.7427]
_cell_length_c [9.1381]
_cell_angle_alpha [90.0000]
_cell_... |
mp-6949 | InF3 | data_[In6F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.5067]
_cell_length_b [5.5067]
_cell_length_c [14.6644]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1079480 | Tb3Ni2 | data_[Tb12Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1859]
_cell_length_b [3.6647]
_cell_length_c [9.4990]
_cell_angle_alpha [90.0000]
_cell... |
mp-1080767 | Eu(BiPd)2 | data_[Eu2Bi4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.9073]
_cell_length_b [4.9073]
_cell_length_c [10.7940]
... |
mp-571000 | Th(GeOs)2 | data_[Th2Ge4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3155]
_cell_length_b [4.3155]
_cell_length_c [10.0127]
... |
mp-636821 | U6Ni | data_[U24Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.2951]
_cell_length_b [10.2951]
_cell_length_c [5.1110]
_cell_angle_alpha [90.0000]
_cel... |
mp-10477 | RbAg3Se2 | data_[Rb4Ag12Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8401]
_cell_length_b [4.4597]
_cell_length_c [9.1051]
_... |
mp-866082 | MgSc2Tc | data_[Mg4Sc8Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7369]
_cell_length_b [6.7369]
_cell_length_c [6.7369]
_c... |
mp-4930 | TiAl2O5 | data_[Ti4Al8O20]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6194]
_cell_length_b [9.4552]
_cell_length_c [9.7766]
_cel... |
mp-1105202 | Ba2InBiSe5 | data_[Ba8In4Bi4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3791]
_cell_length_b [... |
mp-1102430 | SbTeIr | data_[Sb4Te4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.4900]
_cell_length_b [6.4900]
_cell_length_c [6.4900]
_c... |
mp-9851 | HoP5 | data_[Ho2P10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9419]
_cell_length_b [9.4070]
_cell_length_c [5.3441]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1216698 | TiSeS | data_[Ti1Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4866]
_cell_length_b [3.4866]
_cell_length_c [6.4613]
_cell... |
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