Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002853319 | Mg2ScW | data_[Mg8Sc4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.0092]
_cell_length_b [4.0092]
_cell_length_c [21.0055]
_ce... |
agm001485764 | ClCo2PTl | data_[Tl1Co2P1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1823]
_cell_length_b [4.1... |
agm005044017 | DyFeOsSi3 | data_[Dy4Fe4Si12Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4402]
_cell_length_b [10... |
agm005651493 | Bi2PbPr | data_[Pr4Bi8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1042]
_cell_length_b [8.6404]
_cell_length_c [8.1727]
_ce... |
agm003556039 | SiSr3Te4 | data_[Sr6Si2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [13.1381]
_cell_length_b [6.6585]
_cell_length_c [6.6596]
... |
agm001719342 | FMnN2Tl | data_[Mn1Tl1N2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7570]
_cell_length_b [3.757... |
agm004118968 | HgRe2Ta | data_[Ta2Re4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0649]
_cell_length_b [4.0649]
_cell_length_c [8.1354]
_... |
agm2000092315 | Cl3PPb3 | data_[P2Pb6Cl6]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5876]
_cell_length_b [13.1483]
_cell_length_c [17.7841]
_cell... |
agm004950885 | Li2O6ScW | data_[Li4Sc2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3022]
_cell_length_b [5.39... |
agm001441894 | AlIIr2P | data_[Al1P1Ir2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5691]
_cell_length_b [4.569... |
agm003993379 | Cd2IrK | data_[K2Cd4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4229]
_cell_length_b [4.4229]
_cell_length_c [8.9556]
_cel... |
agm005949895 | Ba2BiSn2 | data_[Ba4Sn4Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7900]
_cell_length_b [16.1494]
_cell_length_c [4.8760]
_c... |
agm003914327 | ClPbTl2 | data_[Tl4Pb2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.9220]
_cell_length_b [5.8724]
_cell_length_c [10.4044]
_c... |
agm006135824 | Ce5HoZn6 | data_[Ce10Ho2Zn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4862]
_cell_length_b [13.6336]
_cell_length_c [8.6864]
... |
agm005270293 | BaCo4O7 | data_[Ba2Co8O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.4426]
_cell_length_b [6.4426]
_cell_length_c [10.4684]
_... |
agm004296257 | PtRu2Y | data_[Y1Ru2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9634]
_cell_length_b [4.4884]
_cell_length_c [5.3004]
_cell_a... |
agm006059177 | PbSe5Tb5 | data_[Tb10Pb2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1310]
_cell_length_b [5.9026]
_cell_length_c [8.3464]
... |
agm003622941 | CaPr2Tl | data_[Ca4Pr8Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6745]
_cell_length_b [12.0365]
_cell_length_c [10.0166]
_... |
agm004443291 | GePt | data_[Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5198]
_cell_length_b [7.5198]
_cell_length_c [3.1601]
_cell_angle_alpha [90.0000]
_ce... |
agm001342804 | CuLiMgSc | data_[Li4Mg4Sc4Cu4]
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
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5416]
_cell_length_b [6.... |
agm006037058 | Hg3Mg6Tl | data_[Mg12Tl2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7383]
_cell_length_b [4.9596]
_cell_length_c [10.7109]... |
agm001107305 | CeNTb3 | data_[Tb3Ce1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9807]
_cell_length_b [4.9807]
_cell_length_c [4.9807]
_cel... |
agm002806768 | CPPd2 | data_[P4Pd8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.7217]
_cell_length_b [4.7217]
_cell_length_c [11.3214]
_cell... |
agm005801188 | Ca4LiPt | data_[Li4Ca16Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2383]
_cell_length_b [13.4337]
_cell_length_c [6.5877]
_... |
agm2000006521 | O2Si | data_[Si2O4]
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 [Pmm2]
_cell_length_a [2.6075]
_cell_length_b [17.2869]
_cell_length_c [7.9360]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-2362218 | Nb2ZnZr | data_[Zr4Nb8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6535]
_cell_length_b [6.6535]
_cell_length_c [6.6535]
_c... |
agm005611539 | Ir2Sm3Zn4 | data_[Sm6Zn8Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0751]
_cell_length_b [4.2970]
_cell_length_c [8.5860]
_c... |
agm003412855 | Ac2AgAl3 | data_[Ac2Al3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2019]
_cell_length_b [4.7251]
_cell_length_c [8.2225]
_ce... |
agm001500473 | FIrSi2Y | data_[Y1Si2Ir1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5675]
_cell_length_b [4.567... |
agm004883869 | Cl8InLi2Sr | data_[Sr1Li2In1Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.6722]
_cell_length_b [6.67... |
agm003522239 | As2Pd8Zn | data_[Zn2As4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4009]
_cell_length_b [11.0637]
_cell_length_c [4.4937]
_... |
agm003781455 | As2MnTa | data_[Ta2Mn2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3111]
_cell_length_b [3.0669]
_cell_length_c [5.6844]
_ce... |
agm002678388 | BaCsGe2 | data_[Cs4Ba4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3331]
_cell_length_b [8.3331]
_cell_length_c [8.3331]
_c... |
agm004433684 | BrCrTa2 | data_[Ta6Cr3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1600]
_cell_length_b [3.1600]
_cell_length_c [24.6153]
_c... |
agm002740093 | AuRbSi2 | data_[Rb4Si8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0153]
_cell_length_b [7.0153]
_cell_length_c [7.0153]
_c... |
agm003866270 | Cr2MoTa | data_[Ta3Cr6Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8848]
_cell_length_b [2.8848]
_cell_length_c [24.6188]
_ce... |
agm004033465 | OsSi2Sr | data_[Sr2Si4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7878]
_cell_length_b [7.8740]
_cell_length_c [3.2071]
_ce... |
agm003966415 | KMn2Sb | data_[K2Mn4Sb2]
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 0.6483
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.5284]
_cell_length_b [4.5284]
_cell_length_c [9.0823]
_cel... |
agm002821003 | CrMnTl2 | data_[Mn4Tl8Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.4382]
_cell_length_b [7.4382]
_cell_length_c [6.0547]
_c... |
oqmd-3777646 | AuRhTb | data_[Tb4Rh4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4371]
_cell_length_b [6.4371]
_cell_length_c [6.4371]
_c... |
agm004444666 | FTa | data_[Ta6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.0924]
_cell_length_b [8.0924]
_cell_length_c [2.9989]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004390499 | CrOs2Zr | data_[Zr2Cr2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8867]
_cell_length_b [3.8867]
_cell_length_c [8.4049]
_c... |
oqmd-2020335 | CNb | data_[Nb4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.5009]
_cell_length_b [4.5009]
_cell_length_c [4.5009]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002941728 | PtRh2W2 | data_[Pt2Rh4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9006]
_cell_length_b [3.9006]
_cell_length_c [11.3208]
_c... |
agm003994222 | ClMoW2 | data_[Mo1W2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0806]
_cell_length_b [3.0983]
_cell_length_c [7.4923]
_cell... |
agm2000041851 | BI3 | data_[B2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [12.2316]
_cell_length_b [12.2316]
_cell_length_c [15.0001]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-9661833 | Cs2ErF6Na | data_[Cs8Na4Er4F24]
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
Er 1.2400 1.7500 1.0300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7991]
_cell_length_b [8.7... |
agm002810350 | Ca2IPb | data_[Ca8Pb4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4578]
_cell_length_b [8.4578]
_cell_length_c [8.1861]
_cel... |
oqmd-6363759 | B2CeIr2N2Sm | data_[Ce1Sm1B2Ir2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
agm005609056 | B6CeHo2 | data_[Ce1Ho2B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6526]
_cell_length_b [5.6526]
_cell_length_c [3.9369]
_ce... |
oqmd-7838112 | BiClSe2Sr | data_[Sr4Bi4Se8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.8177]
_cell_length_b [13.... |
oqmd-4116198 | Mn | data_[Mn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.4720]
_cell_length_b [2.4720]
_cell_length_c [7.9587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
agm004386381 | ScSiTc2 | data_[Sc2Si2Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8218]
_cell_length_b [3.8218]
_cell_length_c [8.4586]
_... |
oqmd-8870121 | CdKMnSe3 | data_[K2Mn2Cd2Se6]
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 0.6483
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0566]
_cell_length_b [3.8... |
agm003488616 | Cd2CoTb6 | data_[Tb12Cd4Co2]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1260]
_cell_length_b [7.1497]
_cell_length_c [7.2324]
_... |
mp-1522185 | CaCrHfO6Pr | data_[Ca4Pr4Hf4Cr4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
agm001255826 | Pu3S12Tl5 | data_[Pu24Tl40S96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.0286]
_cell_length_b [16.0286]
_cell_length_c [16.0286... |
agm003692617 | Fe6Pd12Rh | data_[Fe18Pd36Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.4618]
_cell_length_b [11.4618]
_cell_length_c [7.6799]
... |
agm001301244 | InLiPtSb | data_[Li4In4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7653]
_cell_length_b [6.... |
agm005961816 | HgIn2Ti5 | data_[Ti10In4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1411]
_cell_length_b [4.1411]
_cell_length_c [17.2511]... |
agm005972489 | AsGa2Pd5 | data_[Ga4As2Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.7497]
_cell_length_b [10.6677]
_cell_length_c [4.0516]
_... |
agm005677613 | Al4Hf2Ti5 | data_[Hf2Ti5Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1583]
_cell_length_b [2.8443]
_cell_length_c [9.5108]
_ce... |
agm001493345 | Al2AsPdS | data_[Al2As1Pd1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5388]
_cell_length_b [4.5... |
agm004540902 | Br2N2Nd2Y | data_[Nd4Y2Br4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4911]
_cell_length_b [4.491... |
agm001122947 | PdSnY2 | data_[Y2Sn1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5708]
_cell_length_b [3.5708]
_cell_length_c [7.6333]
_ce... |
agm001285222 | GePmRhY | data_[Pm4Y4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1082]
_cell_length_b [7.10... |
agm004855559 | DyPm4ScY2 | data_[Pm4Dy1Y2Sc1]
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
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0809]
_cell_length_b [5.0... |
agm003367230 | Cu2Hg5Pm4 | data_[Pm4Cu2Hg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6616]
_cell_length_b [3.8236]
_cell_length_c [9.4887]
_ce... |
agm004908672 | Br8K2PaTl | data_[K2Pa1Tl1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0046]
_cell_length_b [9.984... |
agm001779630 | AsClISb2 | data_[Sb2As1I1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5024]
_cell_length_b [5.5... |
agm002748172 | CoIn2V | data_[V4In8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4425]
_cell_length_b [6.4425]
_cell_length_c [6.4425]
_cel... |
agm005612113 | Ac2Ag6Ce | data_[Ac2Ce1Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.4371]
_cell_length_b [8.4371]
_cell_length_c [3.8250]
_... |
agm004858989 | IrP2Pa4Se | data_[Pa4P2Ir1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0230]
_cell_length_b [3.889... |
agm002698194 | Mg2ReSi | data_[Mg8Re4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3501]
_cell_length_b [6.3501]
_cell_length_c [6.3501]
_c... |
agm001694464 | AsF2HfN | data_[Hf1As1N1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8465]
_cell_length_b [3.846... |
agm001358015 | LuNiPdRh | data_[Lu4Ni4Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3416]
_cell_length_b [6.... |
agm001575639 | INaSi2Te | data_[Na1Si2Te1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4787]
_cell_length_b [5.4... |
oqmd-5393205 | Bi2CdHf | data_[Hf4Cd4Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5170]
_cell_length_b [7.5170]
_cell_length_c [7.5170]
_c... |
agm005588729 | Ac6Ge2N | data_[Ac12Ge4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0318]
_cell_length_b [8.3874]
_cell_length_c [12.2896]
_... |
agm001406168 | CoPaPuTc | data_[Pu4Pa4Co4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7315]
_cell_length_b [6.... |
agm005133429 | InIr5Si2Sm2 | data_[Sm4In2Si4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8876]
_cell_length_b [... |
agm001478680 | GeK2MgY | data_[K2Y1Mg1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.4130]
_cell_length_b [6.413... |
agm003359968 | I5Pm4Sn2 | data_[Pm8Sn4I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8674]
_cell_length_b [7.8382]
_cell_length_c [29.1872]
_ce... |
agm005418692 | Ba4Mg | data_[Ba8Mg2]
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
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.4848]
_cell_length_b [8.4848]
_cell_length_c [8.4848]
_cell_angle_alpha [90.0000]
_cell_... |
agm001317481 | AgPuTcY | data_[Y4Pu4Tc4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0329]
_cell_length_b [7.03... |
agm1000009109 | CrP2 | data_[Cr4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [16.9824]
_cell_length_b [29.4144]
_cell_length_c [4.7624]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-6035507 | Al4HoInIr | data_[Ho1Al4In1Ir1]
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
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3620]
_cell_length_b [4... |
agm005497903 | BaHg | data_[Ba4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.8154]
_cell_length_b [6.8154]
_cell_length_c [6.8154]
_cell_angle_alpha [90.0000]
_cell_... |
agm002704506 | Ba2BiN | data_[Ba8Bi4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1769]
_cell_length_b [8.1769]
_cell_length_c [8.1769]
_cel... |
agm006031028 | CaSm8Tm6 | data_[Ca3Sm24Tm18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6595]
_cell_length_b [9.6595]
_cell_length_c [18.0041]
_... |
oqmd-6234015 | BCoU | data_[U4Co4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5047]
_cell_length_b [3.5905]
_cell_length_c [6.4905]
_cell_a... |
agm001087935 | CaInTb2 | data_[Ca4Tb8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7871]
_cell_length_b [7.7871]
_cell_length_c [7.7871]
_c... |
agm002732014 | Ru2SZr | data_[Zr4Ru8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3049]
_cell_length_b [6.3049]
_cell_length_c [6.3049]
_cel... |
oqmd-6147403 | AuP5Re3 | data_[Re3P5Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2365]
_cell_length_b [5.2365]
_cell_length_c [6.9759]
_ce... |
oqmd-3296239 | CaFeOTe | data_[Ca4Fe4Te4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
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 [Pnma]
_cell_length_a [6.9393]
_cell_length_b [3.732... |
agm004524272 | As4CdNi3Pm2 | data_[Pm2Cd1Ni3As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2620]
_cell_length_b [4.... |
agm003827983 | Ca2NiW | data_[Ca6Ni3W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0386]
_cell_length_b [4.0386]
_cell_length_c [23.6390]
_cell... |
agm2000086994 | As3CoSm2 | data_[Sm2Co1As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.1239]
_cell_length_b [4.0716]
_cell_length_c [17.9773]
_cel... |
agm005161527 | BaCs2I5Li | data_[Cs8Ba4Li4I20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.1166]
_cell_length_b [22... |
agm004727914 | Na4Np3S8Sb | data_[Na12Np9Sb3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Np 1.3600 1.7500 1.0000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0579]
_cell_length_b [8.0... |
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