Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002732169 | Ba2IrSb | data_[Ba8Sb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0821]
_cell_length_b [8.0821]
_cell_length_c [8.0821]
_c... |
agm004268196 | ScSi2W | data_[Sc2Si4W2]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7980]
_cell_length_b [7.5500]
_cell_length_c [2.9669]
_cell... |
agm006135582 | Pm5Pt6Sc | data_[Pm10Sc2Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2486]
_cell_length_b [4.5576]
_cell_length_c [7.5768]
... |
agm001140876 | AuCoPr2 | data_[Pr2Co1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5871]
_cell_length_b [3.5871]
_cell_length_c [7.4559]
_... |
oqmd-6841898 | C2HoSe2Tm3 | data_[Ho1Tm3C2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7099]
_cell_length_b [3.709... |
agm004190683 | Al2MgTa | data_[Mg2Ta2Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7661]
_cell_length_b [8.2967]
_cell_length_c [2.8925]
_ce... |
agm004850746 | Ac4S2SeTe | data_[Ac8Te2Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.3326]
_cell_length_b [6.33... |
agm005922968 | Mg2NpS4 | data_[Mg8Np4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [7.7044]
_cell_length_b [7.7044]
_cell_length_c [10.9393]
_... |
agm002342541 | As2LiRh2Yb | data_[Li1Yb1As2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2140]
_cell_length_b [4.... |
agm001776215 | FPS2Si | data_[Si1P1S2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9411]
_cell_length_b [4.9411]... |
agm004705487 | Cs4F12Hg3Na | data_[Cs8Na2Hg6F24]
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
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.2685]
_cell_length_b [9.2... |
agm003512159 | HgPr7Ru2 | data_[Pr14Hg2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.3537]
_cell_length_b [13.9701]
_cell_length_c [5.3368]
_... |
agm005070794 | PPrRh6Si | data_[Pr4Si4P4Rh24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1433]
_cell_length_b [9.05... |
agm002898589 | Ga2TiW | data_[Ti4Ga8W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.0072]
_cell_length_b [7.0072]
_cell_length_c [5.4678]
_cel... |
agm002864872 | AgNa2Pb | data_[Na8Ag4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5605]
_cell_length_b [8.5605]
_cell_length_c [6.0150]
_c... |
agm003869612 | BaCl2Ir | data_[Ba1Ir1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6264]
_cell_length_b [3.6264]
_cell_length_c [11.3671]
... |
agm005063934 | BO5PmPt | data_[Pm4B4Pt4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3659]
_cell_length_b [8.8023... |
oqmd-4676078 | FeLaNaS3 | data_[Na4La4Fe4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1733]
_cell_length_b [4.0... |
agm005685736 | Er5La12Y2 | data_[La24Y4Er10]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3072]
_cell_length_b [11.7495]
_cell_length_c [9.5839]
_... |
agm002554374 | Cu3InNi | data_[In1Cu3Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4322]
_cell_length_b [4.4322]
_cell_length_c [4.4322]
_c... |
agm001469412 | BaIr2NiRu | data_[Ba1Ni1Ir2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0689]
_cell_length_b [5... |
oqmd-3636455 | AlAuOS | data_[Al4Au4S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3596]
_cell_length_b [6.698... |
agm005008203 | CPmRe2Si | data_[Pm4Re8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0073]
_cell_length_b [10.93... |
agm005496396 | BeClF2 | data_[Be8Cl8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3703]
_cell_length_b [7.3703]
_cell_length_c [7.3703]
_ce... |
agm002221651 | ErMgRu2 | data_[Er4Mg4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5054]
_cell_length_b [6.5054]
_cell_length_c [6.5054]
_c... |
agm001346053 | CuGdLaOs | data_[La4Gd4Cu4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0624]
_cell_length_b [7.... |
agm004071111 | CoLiZr2 | data_[Li1Zr2Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2194]
_cell_length_b [3.2194]
_cell_length_c [6.8362]
_ce... |
agm004607316 | Ca3Ho2Se6Tb | data_[Ca6Tb2Ho4Se12]
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
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1111]
_cell_length_b [12... |
agm003632537 | HgPS2 | data_[Hg2P2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4704]
_cell_length_b [6.5345]
_cell_length_c [7.0099]
_cell_ang... |
agm001330928 | CdErPbPm | data_[Pm4Er4Cd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6125]
_cell_length_b [7.... |
agm003004352 | Hf2Ni2Se | data_[Hf4Ni4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9509]
_cell_length_b [6.9509]
_cell_length_c [3.4213]
_... |
agm005561125 | Ho3La2Zn2 | data_[La4Ho6Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.6503]
_cell_length_b [30.5491]
_cell_length_c [3.5605]
_c... |
oqmd-8692254 | DyFeNaTe3 | data_[Na2Dy2Fe2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9126]
_cell_length_b [4... |
agm005439330 | CaCo4K | data_[K4Ca4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3277]
_cell_length_b [7.3277]
_cell_length_c [7.3277]
_ce... |
agm001533445 | AgCuHf2Re | data_[Hf2Cu1Re1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9261]
_cell_length_b [4... |
agm001184909 | EuHo4Sm | data_[Sm4Eu4Ho16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.4402]
_cell_length_b [9.4402]
_cell_length_c [9.4402]
_... |
agm005449305 | LaP4Zr | data_[La4Zr4P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5635]
_cell_length_b [7.5635]
_cell_length_c [7.5635]
_ce... |
agm004639352 | Ca2Dy3Se6Tb | data_[Ca4Tb2Dy6Se12]
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
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 [7.0954]
_cell_length_b [12... |
agm2000021116 | Ba3N2 | data_[Ba6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.7121]
_cell_length_b [18.3573]
_cell_length_c [8.0531]
_cell_angle_alpha [90.0000]
_cell_an... |
agm004178566 | LaMo | data_[La2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2524]
_cell_length_b [5.2524]
_cell_length_c [4.7314]
_cell_angle_alpha [90.0000]
_ce... |
agm001987486 | Ac2CLa | data_[Ac6La3C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0771]
_cell_length_b [4.0771]
_cell_length_c [32.7897]
_cel... |
agm004800608 | AuNiRh2Sc4 | data_[Sc12Ni3Rh6Au3]
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
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6280]
_cell_length_b [4.... |
agm004033043 | AgCoRu2 | data_[Co4Ag4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1325]
_cell_length_b [6.1325]
_cell_length_c [6.1325]
_c... |
agm005013304 | CEr2InSm | data_[Sm1Er2In1C1]
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
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8785]
_cell_length_b [4.8... |
agm002630556 | Cd3NbZr | data_[Zr1Nb1Cd3]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1904]
_cell_length_b [5.1904]
_cell_length_c [5.1904]
_c... |
mp-1179414 | Sn | data_[Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2332]
_cell_length_b [3.9094]
_cell_length_c [4.5254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
agm001258915 | CeGeSb | data_[Ce1Ge1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.7623]
_cell_length_b [4.7623]
_cell_length_c [3.9885]
_c... |
agm003303484 | Ca2Cd2Li3 | data_[Li6Ca4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1817]
_cell_length_b [4.6215]
_cell_length_c [7.5402]
_c... |
agm002298315 | O4Rb3V | data_[Rb6V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3521]
_cell_length_b [6.6852]
_cell_length_c [6.5889]
_cell_an... |
agm005594696 | MoPd2Pt | data_[Mo2Pd4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8714]
_cell_length_b [3.8714]
_cell_length_c [8.1661]
_... |
oqmd-2872849 | CrLiMnZr | data_[Li4Zr4Mn4Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1727]
_cell_length_b [6.... |
agm003607695 | InNaZn | data_[Na4Zn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6331]
_cell_length_b [4.3681]
_cell_length_c [5.5515]
_c... |
agm005893922 | Au4Pd2Pt | data_[Pd4Pt2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8347]
_cell_length_b [4.8107]
_cell_length_c [17.6567]
_c... |
agm002093662 | GaLiTc | data_[Li4Ga4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3916]
_cell_length_b [8.5382]
_cell_length_c [4.5153]
_ce... |
agm002258861 | CMn2Si2W2 | data_[Mn4Si4W4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7634]
_cell_length_b [5.1742]... |
agm004740261 | HgPuSb2Tl2 | data_[Pu2Tl4Hg2Sb4]
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
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6712]
_cell_length_b [1... |
agm001571567 | H2KMgTe | data_[K1Mg1Te1H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2996]
_cell_length_b [4.299... |
agm005934225 | Ac2MgRh2 | data_[Ac4Mg2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3579]
_cell_length_b [6.2936]
_cell_length_c [9.1999]
_ce... |
agm004113756 | In2RuW | data_[In4Ru2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4227]
_cell_length_b [3.0140]
_cell_length_c [5.1500]
_cell... |
agm2000112498 | Ga3U2 | data_[U4Ga6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7621]
_cell_length_b [2.6800]
_cell_length_c [20.6653]
_cell_angle_alpha [90.0000]
_cell_angl... |
oqmd-8925247 | BiEuO5V | data_[Eu2V2Bi2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5151]
_cell_length_b [6.8848]... |
agm003609152 | CsKTl | data_[Cs2K2Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2699]
_cell_length_b [5.4633]
_cell_length_c [9.7789]
_ce... |
agm002957385 | Ag2As2Rb | data_[Rb2Ag4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6702]
_cell_length_b [8.6702]
_cell_length_c [3.0036]
_... |
oqmd-3942403 | FeOPRu | data_[Fe2P2Ru2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9771]
_cell_length_b [3.977... |
agm005567477 | As2Pm5Sb2 | data_[Pm20Sb8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4959]
_cell_length_b [8.0807]
_cell_length_c [8.1558]
_... |
agm001275852 | LaPaPr | data_[La1Pr1Pa1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4996]
_cell_length_b [3.4996]
_cell_length_c [8.8956]
_ce... |
agm001405904 | AlCeOsTh | data_[Ce4Th4Al4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9495]
_cell_length_b [6.... |
agm006000927 | Dy10Er4Sc | data_[Dy20Er8Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.6660]
_cell_length_b [9.6660]
_cell_length_c [10.2752]
_... |
oqmd-5477444 | PdY2 | data_[Y8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [6.9125]
_cell_length_b [6.9125]
_cell_length_c [6.9125]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005204806 | AlGePrY | data_[Pr2Y2Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0966]
_cell_length_b [4.481... |
agm002889242 | AuCs2Se | data_[Cs8Au4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.7738]
_cell_length_b [9.7738]
_cell_length_c [6.9354]
_c... |
agm005694805 | Cd7Ce3Pt4 | data_[Ce6Cd14Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7410]
_cell_length_b [4.1086]
_cell_length_c [11.0347]
... |
agm005499601 | KPt3 | data_[K4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.7262]
_cell_length_b [9.0558]
_cell_length_c [4.4886]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001528748 | BaFeInSr2 | data_[Ba1Sr2In1Fe1]
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
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7214]
_cell_length_b [5... |
mp-777643 | Cr5Li24Mn7O36 | data_[Li24Mn7Cr5O36]
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 0.6483
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9990]
_cell_length_b [9.723... |
oqmd-3400560 | ErGdSr | data_[Sr4Gd4Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0984]
_cell_length_b [8.0984]
_cell_length_c [8.0984]
_c... |
agm006104956 | AlBa4Sn3 | data_[Ba4Al1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6983]
_cell_length_b [5.3042]
_cell_length_c [12.8291]
_c... |
agm005905011 | LiPd3Sn3 | data_[Li3Sn9Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [9.2732]
_cell_length_b [9.2732]
_cell_length_c [5.5196]
_ce... |
oqmd-7788132 | F4HoLi | data_[Li4Ho4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.0595]
_cell_length_b [5.0595]
_cell_length_c [10.5117]
_... |
agm004640956 | DyRb3S6Tb2 | data_[Rb6Tb4Dy2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0881]
_cell_length_b [12.2... |
agm004805485 | AcHg4LiMg2 | data_[Li3Ac3Mg6Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8643]
_cell_length_b [4.... |
agm005946037 | Ge4Ni2Sr | data_[Sr4Ni8Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.3974]
_cell_length_b [4.2420]
_cell_length_c [6.6131]
_... |
agm004815521 | PuRb2Se4Y | data_[Rb2Y1Pu1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4387]
_cell_length_b [4.286... |
agm2000116794 | F11Pd4 | data_[Pd4F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.1601]
_cell_length_b [7.1601]
_cell_length_c [17.2473]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001302302 | AlHfPtSc | data_[Hf4Sc4Al4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6918]
_cell_length_b [6.... |
agm005487524 | Ag3Sb4 | data_[Ag3Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6735]
_cell_length_b [5.6735]
_cell_length_c [5.9722]
_cell_angle_alpha [90.0000]
_cell... |
agm005277637 | Cr2KS4 | data_[K1Cr2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8836]
_cell_length_b [3.5086]
_cell_length_c [7.6374]
_cell_a... |
agm005804966 | Au2PbZn | data_[Zn2Pb2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6784]
_cell_length_b [4.0771]
_cell_length_c [7.5412]
_... |
agm004890238 | Br8CdIn2Rb | data_[Rb2Cd2In4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [10.5173]
_cell_length_b [... |
agm004786805 | AlMnNa2S4 | data_[Na4Mn2Al2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.6075]
_cell_length_b [6.6075... |
oqmd-1990323 | AgMoO3 | data_[Ag6Mo6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3629]
_cell_length_b [5.3629]
_cell_length_c [15.5481]
_cel... |
agm001948343 | GaIn2Te | data_[In6Ga3Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0530]
_cell_length_b [4.0530]
_cell_length_c [29.6778]
_c... |
agm005549916 | Er2La2Tb15 | data_[La6Tb45Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.2027]
_cell_length_b [11.2027]
_cell_length_c [17.7020]... |
agm005242899 | H4MgNa2O8S2 | data_[Na2Mg1H4S2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.... |
agm002231082 | Mo2O8Sr | data_[Sr1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0998]
_cell_length_b [6.5902]
_cell_length_c [6.6597]
_cell_... |
agm005696294 | AcCa2Pm | data_[Ca2Ac1Pm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8797]
_cell_length_b [3.8797]
_cell_length_c [10.8221]
_c... |
agm004579627 | Ag2Be2O6Te | data_[Be2Ag2Te1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.1439]
_cell_length_b [5.1439... |
oqmd-7919450 | O2Rh | data_[Rh2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pn-3m]
_cell_length_a [4.3365]
_cell_length_b [4.3365]
_cell_length_c [4.3365]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005685409 | Ca5Li12Mg2 | data_[Li24Ca10Mg4]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2428]
_cell_length_b [7.9566]
_cell_length_c [7.7884]
... |
agm004245371 | Ca2OsRh | data_[Ca4Os2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0623]
_cell_length_b [5.0052]
_cell_length_c [10.7987]
_c... |
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