Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003480742 | BaLi5Mg2 | data_[Ba2Li10Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6061]
_cell_length_b [8.2998]
_cell_length_c [11.7451]
_... |
oqmd-2012586 | AcCoO3 | data_[Ac6Co6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5625]
_cell_length_b [5.5625]
_cell_length_c [15.3155]
_cel... |
agm002426667 | BrOsSn3 | data_[Sn3Os1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4139]
_cell_length_b [5.4139]
_cell_length_c [5.4139]
_c... |
agm004293923 | BaOsSi2 | data_[Ba1Si2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.2252]
_cell_length_b [4.1890]
_cell_length_c [6.5388]
_ce... |
agm003442579 | Ce2GaNi4 | data_[Ce4Ga2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8240]
_cell_length_b [11.6247]
_cell_length_c [4.7663]
_c... |
agm003684626 | B6Co12Np | data_[Np3Co36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4022]
_cell_length_b [9.4022]
_cell_length_c [7.3519]
_ce... |
agm001373801 | AuCeDyIr | data_[Ce4Dy4Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1103]
_cell_length_b [7.... |
agm003461903 | Al4Ga2Pu | data_[Pu2Al8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1469]
_cell_length_b [15.1941]
_cell_length_c [4.1289]
_c... |
agm005934200 | AgHo4Sc | data_[Ho4Sc1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4876]
_cell_length_b [3.4876]
_cell_length_c [13.5926]
... |
agm001919403 | BeCoLiNb | data_[Li4Be4Nb4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7606]
_cell_length_b [5.... |
agm003114920 | NaRhRu | data_[Na2Ru2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0892]
_cell_length_b [4.0892]
_cell_length_c [9.0923]... |
mp-2230649 | Ag4MgO10Si2Ti2 | data_[Mg1Ti2Si2Ag4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length... |
oqmd-9346880 | Br2DyOY | data_[Dy1Y1Br2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6681]
_cell_length_b [3.6681]... |
agm005818364 | Br2O6Pm | data_[Pm4Br8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5024]
_cell_length_b [7.7003]
_cell_length_c [7.9543]
_ce... |
agm005496775 | Co3Tl | data_[Tl4Co12]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7885]
_cell_length_b [3.7885]
_cell_length_c [15.2414]
_cell_angle_alpha [90.0000]
_ce... |
agm005052996 | BaLiPaSe4 | data_[Ba4Li4Pa4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.1090]
_cell_length_b [9.... |
agm2000080024 | Br2Cr3P3 | data_[Cr3P3Br2]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3071]
_cell_length_b [10.1202]
_cell_length_c [18.0786]
_cell... |
agm003372973 | Cu5Ni5Y2 | data_[Y2Cu5Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0499]
_cell_length_b [4.9355]
_cell_length_c [8.5401]
_cell... |
agm003952638 | PbPtSc2 | data_[Sc2Pt1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6401]
_cell_length_b [4.6401]
_cell_length_c [3.8522]
_... |
oqmd-8889220 | GaMn4N2Sn | data_[Mn4Ga1Sn1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9592]
_cell_length_b [2.95... |
agm004279503 | La2MgTl | data_[La2Mg1Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6672]
_cell_length_b [3.6672]
_cell_length_c [9.2640]
_ce... |
agm004380821 | Li2MoRe | data_[Li4Re2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0888]
_cell_length_b [9.2365]
_cell_length_c [2.5279]
_ce... |
oqmd-9772487 | CuGeNa4Pd2 | data_[Na4Cu1Ge1Pd2]
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
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7487]
_cell_length_b [4.... |
agm004125383 | FeW2Zn | data_[Zn2Fe2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7702]
_cell_length_b [3.7702]
_cell_length_c [8.1405]
_ce... |
agm005740116 | Hg4Sm11Tl9 | data_[Sm22Tl18Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.3663]
_cell_length_b [23.1002]
_cell_length_c [3.8419]... |
agm002642342 | B2BaHf | data_[Ba4Hf4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hf 1.3000 1.5500 0.8500
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6290]
_cell_length_b [6.6290]
_cell_length_c [6.6290]
_cel... |
agm003497402 | B2Rh6Sr | data_[Sr8B16Rh48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.7669]
_cell_length_b [10.7669]
_cell_length_c [10.7669]... |
agm005971247 | BaMg2Tl4 | data_[Ba2Mg4Tl8]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2873]
_cell_length_b [8.2873]
_cell_length_c [6.0697]
_... |
agm005217737 | Ag2Au3 | data_[Ag12Au18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.9128]
_cell_length_b [7.9128]
_cell_length_c [10.6317]
_cell_angle_alpha [90.0000]
_cel... |
agm001375094 | AuPbPdTh | data_[Th4Pd4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1840]
_cell_length_b [7.... |
mp-1213562 | C6CrDyN6O4 | data_[Dy4Cr4C24N24O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a... |
agm004726613 | NiPu3S8Tl4 | data_[Pu9Tl12Ni3S24]
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
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8895]
_cell_length_b [7.8... |
agm002878079 | CsLaPd2 | data_[Cs4La4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.3012]
_cell_length_b [8.3012]
_cell_length_c [8.3019]
_c... |
agm002555449 | BiNiRe3 | data_[Re3Ni1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9342]
_cell_length_b [4.9342]
_cell_length_c [4.9342]
_c... |
agm001452078 | BaNa2SbSc | data_[Ba1Na2Sc1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9156]
_cell_length_b [5... |
agm005565050 | Er5Hg2Os2 | data_[Er20Hg8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.0062]
_cell_length_b [7.3945]
_cell_length_c [7.4959]
_... |
agm005536774 | Er5Tm4 | data_[Er10Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5478]
_cell_length_b [11.9072]
_cell_length_c [12.8514]
_cell_angle_alpha [90.0000]
_cel... |
agm004255990 | OsP2Pb | data_[P4Os2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7875]
_cell_length_b [7.3560]
_cell_length_c [3.2511]
_cell... |
agm002236750 | AcPbS2 | data_[Ac4Pb4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4008]
_cell_length_b [7.4008]
_cell_length_c [7.4008]
_cel... |
agm003937266 | CaOs2Zr | data_[Ca2Zr2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2904]
_cell_length_b [4.9645]
_cell_length_c [8.9398]
_ce... |
agm004815634 | NaSe4Tm2Y | data_[Na1Y1Tm2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0738]
_cell_length_b [4.035... |
agm001279441 | ClErHo | data_[Ho1Er1Cl1]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6367]
_cell_length_b [3.6367]
_cell_length_c [6.9325]
_ce... |
agm001276520 | CeErPu | data_[Ce1Er1Pu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.4934]
_cell_length_b [5.4934]
_cell_length_c [3.2665]
_c... |
agm003316325 | Ho5Pd2Tl2 | data_[Ho20Tl8Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4415]
_cell_length_b [8.5354]
_cell_length_c [7.2238]
_... |
agm001580873 | CuHg2SbZr | data_[Zr1Cu1Hg2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8491]
_cell_length_b [4... |
agm002701335 | CoMnTc2 | data_[Mn4Co4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9396]
_cell_length_b [5.9396]
_cell_length_c [5.9396]
_c... |
agm005881973 | Sm12Tb3Y | data_[Tb3Sm12Y1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1098]
_cell_length_b [5.1098]
_cell_length_c [20.4127]
_... |
mp-1104693 | C3Ca2HLi | data_[Li2Ca4H2C6]
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
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8189]
_cell_length_b [6.818... |
agm003497907 | Cl6GaTi2 | data_[Ti4Ga2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1577]
_cell_length_b [4.9684]
_cell_length_c [7.2592]
_... |
agm001497805 | AuLaMo2Y | data_[La1Y1Mo2Au1]
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
Mo 2.1600 1.4500 0.7750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8796]
_cell_length_b [4.8... |
agm002877715 | Au2BaP | data_[Ba4P4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.4448]
_cell_length_b [5.4448]
_cell_length_c [15.9104]
... |
agm003740873 | AuBrI4 | data_[Au4I16Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9668]
_cell_length_b [7.9954]
_cell_length_c [8.3005]
_ce... |
agm001100548 | CdHoY2 | data_[Y8Ho4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7067]
_cell_length_b [7.7067]
_cell_length_c [7.7067]
_cel... |
agm001939762 | Ag2BiSn | data_[Ag6Sn3Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4317]
_cell_length_b [3.4317]
_cell_length_c [28.1312]
_c... |
agm2000107640 | P2SbTi | data_[Ti2Sb2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6206]
_cell_length_b [18.5559]
_cell_length_c [5.9658]
_cell_... |
agm006131206 | Mg4MoO5 | data_[Mg8Mo2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.8476]
_cell_length_b [6.8476]
_cell_length_c [4.3707]
_cel... |
agm002337129 | FePb | data_[Fe4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9269]
_cell_length_b [4.0886]
_cell_length_c [5.6061]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004617191 | Ac2CeTb3Te6 | data_[Ac4Tb6Ce2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8525]
_cell_length_b [4... |
agm004234674 | AgCu2K | data_[K1Cu2Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1812]
_cell_length_b [5.1812]
_cell_length_c [2.8652]
_ce... |
agm001378365 | IrLiPmSm | data_[Li4Pm4Sm4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1252]
_cell_length_b [7.... |
agm006067351 | Mn3Pt4Tm | data_[Tm1Mn3Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.6483
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2089]
_cell_length_b [4.2089]
_cell_length_c [7.3355]
_... |
agm003026778 | Pd2Ta2V | data_[Ta4V2Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8346]
_cell_length_b [7.8346]
_cell_length_c [2.7691]
_ce... |
agm006100632 | AuLi4Te3 | data_[Li16Te12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.8137]
_cell_length_b [7.1749]
_cell_length_c [9.3601]
_c... |
agm2000091771 | OPd2Se3 | data_[Pd2Se3O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9176]
_cell_length_b [6.2204]
_cell_length_c [18.0750]
_cell_... |
agm004575703 | Cu2RbS6Zr2 | data_[Rb1Zr2Cu2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9812]
_cell_length_b [7.0907... |
oqmd-6093292 | Al3AuCo2Zr3 | data_[Zr3Al3Co2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0723]
_cell_length_b [7.... |
oqmd-2840772 | AgFeGaTa | data_[Ta4Ga4Fe4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2759]
_cell_length_b [6.... |
oqmd-5491730 | CdDyTe3Tl | data_[Dy4Tl4Cd4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6960]
_cell_length_b [4... |
agm001977861 | Ac2ErPm | data_[Ac6Pm3Er3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7164]
_cell_length_b [3.7164]
_cell_length_c [39.3999]
_c... |
agm005975255 | F8K3Nb | data_[K3Nb1F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8437]
_cell_length_b [5.8437]
_cell_length_c [5.8437]
_cell_... |
agm002970973 | CoRh2Sn2 | data_[Co2Sn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4620]
_cell_length_b [7.4620]
_cell_length_c [3.0960]
_... |
agm002940640 | Ag2I2Pd | data_[Ag4Pd2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0408]
_cell_length_b [4.0408]
_cell_length_c [15.8998]
_c... |
agm005159543 | HgPb2S5Sb | data_[Hg4Sb4Pb8S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9850]
_cell_length_b [17... |
agm002147458 | AuF2 | data_[Au4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.3509]
_cell_length_b [5.9483]
_cell_length_c [6.3805]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm002472055 | FRe3Sc | data_[Sc1Re3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Re 1.9000 1.3500 0.7125
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6740]
_cell_length_b [4.6740]
_cell_length_c [4.6740]
_cel... |
agm001177303 | BiKPd4 | data_[K4Bi4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7956]
_cell_length_b [7.7956]
_cell_length_c [7.7956]
_ce... |
agm005066407 | BiKMoO5 | data_[K4Bi4Mo4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8644]
_cell_length_b [10.382... |
agm003001648 | Hg2NaPb2 | data_[Na2Hg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5932]
_cell_length_b [8.5932]
_cell_length_c [3.9809]
_... |
agm005874015 | Bi2Cs5Pt | data_[Cs15Bi6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5591]
_cell_length_b [6.5591]
_cell_length_c [30.9331]
_... |
agm004607780 | DyLa2Pm3Se6 | data_[La4Pm6Dy2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3459]
_cell_length_b [4... |
agm003651184 | La4Pm5Sm | data_[La8Pm10Sm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [10.7163]
_cell_length_b [10.7163]
_cell_length_c [6.0831... |
oqmd-6517367 | ScSi2Ti2Tm | data_[Tm1Sc1Ti2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1519]
_cell_length_b [4.1... |
agm005570906 | Ag2Br7Cd2 | data_[Cd4Ag4Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5749]
_cell_length_b [12.7655]
_cell_length_c [8.4182]
_... |
agm005093439 | BiKO6S | data_[K1Bi1S1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1869]
_cell_length_b [5.1869]
_... |
agm003993961 | CrPbSe | data_[Cr1Pb1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3210]
_cell_length_b [4.3210]
_cell_length_c [4.4725]
_c... |
agm001289277 | GeMnMoPd | data_[Mn4Ge4Mo4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1621]
_cell_length_b [6.... |
oqmd-2588219 | CuNbSiV | data_[Nb4V4Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0932]
_cell_length_b [6.09... |
agm003675293 | Cd5MnO6 | data_[Mn2Cd10O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8080]
_cell_length_b [10.0540]
_cell_length_c [5.8046]
_c... |
agm004903230 | HgO8Tm2W | data_[Tm4Hg2W2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
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 [7.2236]
_cell_length_b [6.7764... |
agm004082989 | BrSrZr2 | data_[Sr2Zr4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7485]
_cell_length_b [4.7485]
_cell_length_c [9.4502]
_c... |
agm004884702 | Cl2CuO8Pb | data_[Cu2Pb2Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9299]
_cell_length_b [6.80... |
agm004628016 | I3IrPm6Ru2 | data_[Pm12Ir2Ru4I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1831]
_cell_length_b [12.4... |
agm001983362 | GdMn2Pu | data_[Gd3Pu3Mn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pu 1.2800 1.7500 0.9675
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2617]
_cell_length_b [4.2617]
_cell_length_c [15.0962]
_c... |
agm004037034 | Br2ClSe | data_[Se1Br2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5689]
_cell_length_b [3.5689]
_cell_length_c [7.3938]
_... |
agm006101231 | GaHg5Zr6 | data_[Zr12Ga2Hg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4819]
_cell_length_b [8.4331]
_cell_length_c [13.4604]
... |
agm005605055 | Pd2Sn4Sr3 | data_[Sr6Sn8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6655]
_cell_length_b [4.8584]
_cell_length_c [9.4264]
_c... |
agm001348749 | AgGaPaTm | data_[Tm4Pa4Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1855]
_cell_length_b [7.... |
agm005094110 | NaO6PmTc | data_[Na2Pm2Tc2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pm 1.1300 1.8500 1.1100
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5454]
_cell_length_b [9.6653... |
agm003452631 | RbSe4Ti2 | data_[Rb4Ti8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8234]
_cell_length_b [13.1023]
_cell_length_c [13.4138]
... |
agm002006452 | INa2Tl | data_[Na6Tl3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0750]
_cell_length_b [4.0750]
_cell_length_c [31.3979]
_cel... |
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