Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1079881 | CeSb2Pd | data_[Ce2Sb4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4349]
_cell_length_b [4.4349]
_cell_length_c [9.7990]
_... |
mp-1186988 | ScNi3 | data_[Sc2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3017]
_cell_length_b [5.3017]
_cell_length_c [4.2216]
_cell_angle_alpha [90.0000]
_ce... |
mp-1222948 | LaEr4Se7 | data_[La2Er8Se14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5462]
_cell_length_b [3.9749]
_cell_length_c [12.2346]
_c... |
mp-1215724 | ZnAg | data_[Zn9Ag9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.8998]
_cell_length_b [7.6600]
_cell_length_c [13.2696]
_cell_angle_alpha [90.6264]
_cell_an... |
mp-29027 | TaI2O | data_[Ta4I8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7183]
_cell_length_b [3.9033]
_cell_length_c [7.5335]
_cell_... |
mp-1214585 | Ba2Pr(CuO2)3 | data_[Ba2Pr1Cu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9279]
_cell_length_b [3.9... |
mp-1218417 | SrCa(CuO2)2 | data_[Sr2Ca2Cu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9396]
_cell_length_b [3.510... |
mp-753229 | Li2Mn3NiO8 | data_[Li4Mn6Ni2O16]
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
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 [10.0620]
_cell_length_b [5.8... |
mp-1284950 | LaNiO3 | data_[La2Ni2O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4236]
_cell_length_b [5.4236]
_cell_length_c [5.4339]
_cell_... |
mp-1068021 | Sm(MgBi)2 | data_[Sm1Mg2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [4.8697]
_cell_length_b [4.8697]
_cell_length_c [7.4057]
_c... |
mp-1104522 | Tb(Mo3Se4)2 | data_[Tb3Mo18Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5224]
_cell_length_b [9.5224]
_cell_length_c [11.9178]
_... |
mp-1224861 | Ga2CuAgTe4 | data_[Ga4Cu2Ag2Te8]
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
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.2436]
_cell_length_b [6.24... |
mp-19903 | V2Pb3O8 | data_[V4Pb6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5646]
_cell_length_b [6.4553]
_cell_length_c [7.5941]
_cell_an... |
mp-3136 | NaNbO3 | data_[Na1Nb1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0093]
_cell_length_b [4.0093]
_cell_length_c [4.0093]
_cel... |
mp-1228691 | Al4GaSb5 | data_[Al8Ga2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4098]
_cell_length_b [22.0245]
_cell_length_c [6.2249]
_... |
mp-1186697 | Pr2TlIn | data_[Pr8Tl4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8568]
_cell_length_b [7.8568]
_cell_length_c [7.8568]
_c... |
mp-1183199 | AcTlRh2 | data_[Ac4Tl4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0426]
_cell_length_b [7.0426]
_cell_length_c [7.0426]
_c... |
mp-999389 | NbFe3 | data_[Nb4Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9176]
_cell_length_b [5.9176]
_cell_length_c [5.9176]
_cell_angle_alpha [90.0000]
_cell... |
mp-3319 | Mg(RhO2)2 | data_[Mg8Rh16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [8.6627]
_cell_length_b [8.6627]
_cell_length_c [8.6627]
_c... |
mp-1275414 | Li2CoNiO4 | data_[Li2Co1Ni1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [P-1]
_cell_length_a [2.9756]
_cell_length_b [5.0535... |
mp-1102049 | TaBe3 | data_[Ta9Be27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5649]
_cell_length_b [4.5649]
_cell_length_c [20.9435]
_cell_angle_alpha [90.0000]
_cell... |
mp-29588 | Nd3(BN2)2 | data_[Nd6B4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5570]
_cell_length_b [6.3084]
_cell_length_c [10.8533]
_cell_... |
mp-556888 | KSbF6 | data_[K2Sb2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.2729]
_cell_length_b [5.2729]
_cell_length_c [10.2537]
_... |
mp-1222749 | LaZn2Ni3 | data_[La1Zn2Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2420]
_cell_length_b [5.2420]
_cell_length_c [3.9074]
_... |
mp-22990 | CsICl2 | data_[Cs3I3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5721]
_cell_length_b [6.5721]
_cell_length_c [12.4551]
_cel... |
mp-1226355 | Cr2Rh2C | data_[Cr6Rh6C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7607]
_cell_length_b [2.7607]
_cell_length_c [26.2725]
_cel... |
mvc-3984 | Ca2CuSbO6 | data_[Ca4Cu2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
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 [5.7808]
_cell_length_b [7.... |
mp-570902 | Pr6RuBr10 | data_[Pr6Ru1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7440]
_cell_length_b [9.4589]
_cell_length_c [9.7988]
_ce... |
mp-1221720 | MnAlIr2 | data_[Mn1Al1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9788]
_cell_length_b [2.9788]
_cell_length_c [6.1574]
_... |
mp-11764 | HoSnPd | data_[Ho4Sn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1892]
_cell_length_b [4.6292]
_cell_length_c [7.9962]
_ce... |
mp-1227319 | Bi3Sb | data_[Bi9Sb3]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5579]
_cell_length_b [4.5579]
_cell_length_c [23.8555]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-866006 | CaBi3 | data_[Ca1Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9969]
_cell_length_b [4.9969]
_cell_length_c [4.9969]
_cell_angle_alpha [90.0000]
_cell_... |
mp-637182 | Gd3Al7Ag2 | data_[Gd9Al21Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5798]
_cell_length_b [5.5798]
_cell_length_c [26.4590]
_... |
mp-1113594 | Cs2GaAgI6 | data_[Cs8Ga4Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.7945]
_cell_length_b [11... |
mp-754408 | Ba2SrI6 | data_[Ba8Sr4I24]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3299]
_cell_length_b [16.1591]
_cell_length_c [10.4533]
_c... |
mp-28067 | ThIN | data_[Th2I2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1202]
_cell_length_b [4.1202]
_cell_length_c [9.9713]
_cell... |
mp-19894 | Cr2WO6 | data_[Cr4W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6665]
_cell_length_b [4.6665]
_cell_length_c [9.0868]
_c... |
mvc-11086 | V2O5 | data_[V4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.7213]
_cell_length_b [10.7131]
_cell_length_c [3.3250]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1213152 | Er3Ga2Ge3 | data_[Er12Ga8Ge12]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.3383]
_cell_length_b [7.4306]
_cell_length_c [9.3818]
_... |
mp-1224318 | GeTe2Pb | data_[Ge1Te2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4816]
_cell_length_b [4.4816]
_cell_length_c [6.3420]
_... |
mp-1221820 | Mn2InSnPd4 | data_[Mn6In3Sn3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5361]
_cell_length_b [4.... |
mp-623066 | GaPt3 | data_[Ga4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.5486]
_cell_length_b [5.5486]
_cell_length_c [7.9640]
_cell_angle_alpha [90.0000]
_cel... |
mp-754342 | ScFeO3 | data_[Sc2Fe2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3694]
_cell_length_b [3.3694]
_cell_length_c [11.9443]
... |
mp-21215 | InPd | data_[In1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3096]
_cell_length_b [3.3096]
_cell_length_c [3.3096]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095683 | NbIr | data_[Nb6Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.9016]
_cell_length_b [2.8723]
_cell_length_c [4.8945]
_cell_angle_alpha [90.0000]
_cell_... |
mp-972635 | SmErHg2 | data_[Sm4Er4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5132]
_cell_length_b [7.5132]
_cell_length_c [7.5132]
_c... |
mp-8312 | Ta5As4 | data_[Ta10As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8978]
_cell_length_b [9.8978]
_cell_length_c [3.4517]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23167 | TlCl | data_[Tl1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9008]
_cell_length_b [3.9008]
_cell_length_c [3.9008]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186552 | PmDy3 | data_[Pm1Dy3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0448]
_cell_length_b [5.0448]
_cell_length_c [5.0448]
_cell_angle_alpha [90.0000]
_cell_... |
mp-973100 | ScCu3 | data_[Sc4Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1045]
_cell_length_b [6.1045]
_cell_length_c [6.1045]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218970 | Sn2PdAu | data_[Sn2Pd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2541]
_cell_length_b [4.2541]
_cell_length_c [5.6871]
_c... |
mp-19265 | DyNiO3 | data_[Dy4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6227]
_cell_length_b [7.4534]
_cell_length_c [5.2117]
_cel... |
mp-27418 | KAuO2 | data_[K1Au1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0816]
_cell_length_b [3.7740]
_cell_length_c [5.8812]
_cell_a... |
mp-1101713 | NaCu3O2 | data_[Na4Cu12O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.9576]
_cell_length_b [9.5621]
_cell_length_c [5.5521]
_cel... |
mp-1222814 | LaYCo10 | data_[La1Y1Co10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9621]
_cell_length_b [4.9614]
_cell_length_c [8.6415]
_cel... |
mp-144 | Ho | data_[Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6088]
_cell_length_b [3.6088]
_cell_length_c [5.5775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-570173 | K2SnCl6 | data_[K4Sn2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [7.2923]
_cell_length_b [7.2923]
_cell_length_c [10.0692]
_... |
mp-13336 | RbSc5Te8 | data_[Rb2Sc10Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.5598]
_cell_length_b [4.1781]
_cell_length_c [10.3553]... |
mp-1185248 | LiYPd2 | data_[Li4Y4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6733]
_cell_length_b [6.6733]
_cell_length_c [6.6733]
_cel... |
mp-1187475 | Ti3Be | data_[Ti6Be2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8504]
_cell_length_b [3.8504]
_cell_length_c [8.0260]
_cell_angle_alpha [90.0000]
_cell... |
mp-1112472 | K2EuAgCl6 | data_[K8Eu4Ag4Cl24]
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
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7703]
_cell_length_b [10... |
mp-1227577 | Ce4Ni4Bi3Sb5 | data_[Ce4Ni4Bi3Sb5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4930]
_cell_length_b [4.... |
mp-1217548 | TbFe11Re | data_[Tb2Fe22Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6778]
_cell_length_b [8.4869]
_cell_length_c [8.5666]
_c... |
mp-1217218 | U2Ga5Cu3 | data_[U2Ga5Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1249]
_cell_length_b [4.1249]
_cell_length_c [10.2430]
_cel... |
mp-977387 | TbAgHg2 | data_[Tb4Ag4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [7.1262]
_cell_length_b [7.1262]
_cell_length_c [7.1262]
_c... |
mp-1080313 | CeSe2 | data_[Ce6Se12]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3001]
_cell_length_b [4.3001]
_cell_length_c [36.0094]
_cell_angle_alpha [90.0000]
_cell... |
mp-18918 | ZnWO4 | data_[Zn2W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.7591]
_cell_length_b [5.8553]
_cell_length_c [5.0179]
_cell_a... |
mp-1104631 | P3(PbO5)2 | data_[P6Pb4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7054]
_cell_length_b [14.9828]
_cell_length_c [5.0094]
_cell_a... |
mp-1223824 | Hf2Fe3Si | data_[Hf4Fe6Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9497]
_cell_length_b [4.9497]
_cell_length_c [7.9761]... |
mp-753502 | Li4Mn3OF11 | data_[Li4Mn3O1F11]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9246]
_cell_length_b [6.0137]
... |
mp-975204 | Rb | data_[Rb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0113]
_cell_length_b [8.9034]
_cell_length_c [8.1845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-1228893 | AlGaCo2 | data_[Al1Ga1Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8769]
_cell_length_b [2.8769]
_cell_length_c [5.7151]
_... |
mp-441 | Rb2Te | data_[Rb8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6088]
_cell_length_b [8.6088]
_cell_length_c [8.6088]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1173369 | Pr2EuSe4 | data_[Pr8Eu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.0583]
_cell_length_b [9.0583]
_cell_length_c [9.0599]
_... |
mp-1003312 | KMn4O8 | data_[K2Mn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3628]
_cell_length_b [5.8322]
_cell_length_c [7.3902]
_cell... |
mp-25436 | TiPO4F | data_[Ti2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2460]
_cell_length_b [5.2469]
_c... |
mp-1188541 | NbSiRu | data_[Nb12Si12Ru12]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.2806]
_cell_length_b [11.2468]
_cell_length_c [6.5513]... |
mp-1112087 | K2SmAgCl6 | data_[K8Sm4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8368]
_cell_length_b [10... |
mp-1100768 | TbCdHg2 | data_[Tb4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2317]
_cell_length_b [7.2317]
_cell_length_c [7.2317]
_c... |
mp-14587 | ZnP4 | data_[Zn4P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.0459]
_cell_length_b [5.0459]
_cell_length_c [14.6337]
_cell_angle_alpha [90.0000]
_ce... |
mp-1113024 | Cs2LiBiCl6 | data_[Cs8Li4Bi4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7555]
_cell_length_b [... |
mp-862805 | PrSnAu2 | data_[Pr4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2228]
_cell_length_b [7.2228]
_cell_length_c [7.2228]
_c... |
mp-567276 | TaV2 | data_[Ta8V16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.1254]
_cell_length_b [7.1254]
_cell_length_c [7.1254]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1147660 | Cu3AsF12 | data_[Cu6As2F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.6918]
_cell_length_b [7.6918]
_cell_length_c [7.6918]
_ce... |
mp-675830 | FeCu5S4 | data_[Fe1Cu5S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.6291]
_cell_length_b [3.8063]
_cell_length_c [6.7584]
_cell_a... |
mp-1105153 | SrOsO3 | data_[Sr4Os4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5857]
_cell_length_b [7.9701]
_cell_length_c [5.6517]
_cel... |
mp-753138 | Fe2OF3 | data_[Fe8O4F12]
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 [Imma]
_cell_length_a [6.2358]
_cell_length_b [6.9256]
_cell_length_c [6.7149]
_cell_... |
mp-1184423 | Gd3I | data_[Gd3I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9693]
_cell_length_b [4.9693]
_cell_length_c [4.9693]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-757790 | LiP2WO8 | data_[Li2P4W2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1216]
_cell_length_b [5.3684]
... |
mp-643651 | Rb3ZnH5 | data_[Rb12Zn4H20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9708]
_cell_length_b [7.9708]
_cell_length_c [11.6963]
... |
mp-31038 | CuSe2Cl | data_[Cu4Se8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7584]
_cell_length_b [4.9614]
_cell_length_c [12.0597]
... |
mp-2965 | Ce(MnSi)2 | data_[Ce2Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9423]
_cell_length_b [3.9423]
_cell_length_c [10.4047]
... |
mp-25440 | VPO4F | data_[V2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2107]
_cell_length_b [5.2194]
_cel... |
mp-30945 | Ga2PdBr8 | data_[Ga4Pd2Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3225]
_cell_length_b [8.8301]
_cell_length_c [7.7625]
_... |
mvc-78 | Mg(CoS2)2 | data_[Mg8Co16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.8047]
_cell_length_b [9.8047]
_cell_length_c [9.8047]
_c... |
mp-625671 | Mn(HO)2 | data_[Mn1H2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3701]
_cell_length_b [3.3749]
_cell_length_c [5.0051]
_cell_ang... |
mp-1219512 | RuRhS4 | data_[Ru2Rh2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6966]
_cell_length_b [5.7065]
_cell_length_c [5.7087]
_ce... |
mp-554493 | BiAsPbO5 | data_[Bi4As4Pb4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
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 [C2/m]
_cell_length_a [13.4008]
_cell_length_b [5.6... |
mp-11984 | YMgTl | data_[Y3Mg3Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5752]
_cell_length_b [7.5752]
_cell_length_c [4.6793]
_cel... |
mp-5860 | K2HgO2 | data_[K4Hg2O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9951]
_cell_length_b [3.9951]
_cell_length_c [14.1626]
_cel... |
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