Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003792500 | CuK2W | data_[K2Cu1W1]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1494]
_cell_length_b [3.1494]
_cell_length_c [10.9508]
_cell_... |
agm003319735 | Sm2Tb7Th2 | data_[Tb14Sm4Th4]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1461]
_cell_length_b [11.5359]
_cell_length_c [6.1352]
... |
agm005924586 | AgS4Tc | data_[Tc2Ag2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5157]
_cell_length_b [6.5701]
_cell_length_c [7.3071]
_cell_... |
agm006127285 | As6Tb5Th | data_[Tb10Th2As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2106]
_cell_length_b [12.4746]
_cell_length_c [7.2071]
... |
agm004418874 | Al2CuK | data_[K2Al4Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8009]
_cell_length_b [5.4383]
_cell_length_c [10.8992]
_cel... |
oqmd-3500247 | AlNa3S3 | data_[Na24Al8S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.7258]
_cell_length_b [12.0692]
_cell_length_c [7.6235]... |
agm003292222 | Ho5Sm4 | data_[Sm8Ho10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.7150]
_cell_length_b [10.7150]
_cell_length_c [5.0381]
_cell_angle_alpha [90.0000]
_c... |
agm005962327 | Cd2Pd5Y | data_[Y2Cd4Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2205]
_cell_length_b [4.2205]
_cell_length_c [15.8582]
_... |
oqmd-8727062 | ErI6In2Na | data_[Na4Er4In8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.0720]
_cell_length_b [12... |
agm004178613 | In2IrPb | data_[In4Ir2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8392]
_cell_length_b [3.1816]
_cell_length_c [6.9301]
_cell... |
agm004478168 | BeI6PRb2 | data_[Rb8Be4P4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2994]
_cell_length_b [11.2... |
agm004479167 | BrI6Rb2Se | data_[Rb4Se2I12Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3930]
_cell_length_b [8.... |
agm2000056500 | As3Br2Mn3 | data_[Mn6As6Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.8983]
_cell_length_b [3.7266]
_cell_length_c [13.1562]
_... |
agm002165837 | BiGa2Na | data_[Na4Ga8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4140]
_cell_length_b [7.4140]
_cell_length_c [7.4140]
_c... |
agm004949207 | Fe2O6SnTb | data_[Tb3Fe6Sn3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3427]
_cell_length_b [5.3427... |
agm004994283 | PmPr2SmY | data_[Pm2Pr4Sm2Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.3324]
_cell_length_b [8.158... |
agm003714801 | Er3FeTl | data_[Er6Tl2Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.4410]
_cell_length_b [7.4410]
_cell_length_c [5.2567]... |
agm001634683 | CrFeHNi2 | data_[Cr1Fe1Ni2H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5323]
_cell_length_b [3.5... |
agm005269619 | IN4 | data_[I4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.0056]
_cell_length_b [7.3084]
_cell_length_c [8.7385]
_cell_angle_alpha [90.0000]
_cel... |
oqmd-6153301 | Ag2Al7La2Tb | data_[La6Tb3Al21Ag6]
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
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6589]
_cell_length_b [5.... |
agm004417074 | ClCoSb | data_[Co4Sb4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2076]
_cell_length_b [6.2076]
_cell_length_c [6.2076]
_c... |
agm002239167 | AsScV | data_[Sc4V4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8076]
_cell_length_b [3.6119]
_cell_length_c [8.1015]
_cell... |
agm002971754 | Cr2OsPt2 | data_[Cr4Os2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3158]
_cell_length_b [7.3158]
_cell_length_c [2.6604]
_... |
agm004731388 | NpPa3Rb4Te8 | data_[Rb8Np2Pa6Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
Pa 1.5000 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6465]
_cell_length_b [8... |
agm001759817 | AsBOP2 | data_[B1As1P2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7407]
_cell_length_b [4.7407]... |
agm002795781 | BGaGe2 | data_[Ga4Ge8B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4707]
_cell_length_b [5.4707]
_cell_length_c [9.8926]
_cel... |
agm003753921 | AgBr4Ir | data_[Ag4Ir4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2111]
_cell_length_b [16.3682]
_cell_length_c [6.5841]
_... |
agm003408147 | Ga2Se3Tl | data_[Tl4Ga8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.8873]
_cell_length_b [4.5325]
_cell_length_c [7.3959]
_... |
agm002919074 | Cu2La2Tl | data_[La4Tl2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6306]
_cell_length_b [3.6306]
_cell_length_c [19.0196]
... |
oqmd-6763904 | Dy2ErGa4Pd | data_[Dy4Er2Ga8Pd2]
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
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.6074]
_cell_length_b [3.7... |
agm001076882 | HfPd2S4 | data_[Hf2Pd4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9870]
_cell_length_b [4.9870]
_cell_length_c [12.0162]
_c... |
agm003707628 | Ac3CdRh | data_[Ac12Cd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1204]
_cell_length_b [5.9724]
_cell_length_c [9.7225]
_... |
agm001472092 | HfNiRe2Ru | data_[Hf1Re2Ni1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4191]
_cell_length_b [4... |
agm001824627 | Ga3H5Lu12 | data_[Lu96Ga24H40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.8900]
_cell_length_b [14.8900]
_cell_length_c [14.8900... |
agm002484172 | BaGeTl3 | data_[Ba1Tl3Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6388]
_cell_length_b [5.6388]
_cell_length_c [5.6388]
_c... |
agm001286066 | CuGeMgTh | data_[Th4Mg4Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9548]
_cell_length_b [6.... |
agm004943153 | AlGa6LiTm2 | data_[Li1Tm2Al1Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2915]
_cell_length_b [6.45... |
agm005884211 | Au3PtSr2 | data_[Sr2Pt1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0222]
_cell_length_b [4.6856]
_cell_length_c [8.2085]
_ce... |
agm003457382 | GaPu4Ru2 | data_[Pu16Ga4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5798]
_cell_length_b [8.5798]
_cell_length_c [8.4029]
_... |
agm006029654 | Ac8Ca6Sr | data_[Sr1Ca6Ac8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [P6/m]
_cell_length_a [11.2593]
_cell_length_b [11.2593]
_cell_length_c [6.4394]
_... |
agm004478559 | GeI6Rb2Zr | data_[Rb8Zr4Ge4I24]
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
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.0285]
_cell_length_b [12... |
agm003102868 | BaCoMn | data_[Ba2Mn2Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8184]
_cell_length_b [3.8184]
_cell_length_c [10.5402... |
agm002035220 | AlCuRu | data_[Al2Cu2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1651]
_cell_length_b [4.1651]
_cell_length_c [5.3135]... |
agm005856429 | H4SY2 | data_[Y6H12S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7219]
_cell_length_b [3.7219]
_cell_length_c [20.8327]
_cell_a... |
oqmd-3340683 | ErHfRb | data_[Rb4Er4Hf4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0476]
_cell_length_b [8.0476]
_cell_length_c [8.0476]
_c... |
agm001594315 | BeKNbSi2 | data_[K1Be1Nb1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4626]
_cell_length_b [4.4... |
agm005655655 | CaCo2F6 | data_[Ca1Co2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.3535]
_cell_length_b [5.3535]
_cell_length_c [4.9029]
_cel... |
agm004753139 | BaCaCu2Ga2 | data_[Ba1Ca1Ga2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5014]
_cell_length_b [4.... |
agm001698582 | BeF2GaO | data_[Be1Ga1O1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0146]
_cell_length_b [4.014... |
agm004491892 | B2Co4Ga3Ir3 | data_[Ga6Co8B4Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8078]
_cell_length_b [4.029... |
agm004669345 | Br8Cu2PdTl3 | data_[Tl3Cu2Pd1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3942]
_cell_length_b [7.... |
agm004797346 | Ag2CuEr4Zn | data_[Er12Zn3Cu3Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0228]
_cell_length_b [5.... |
agm001060528 | PSrU | data_[Sr2U2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2295]
_cell_length_b [4.2295]
_cell_length_c [12.8179]
_cell... |
agm004506170 | Ge3Ho2Ir4Ti | data_[Ho2Ti1Ge3Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0945]
_cell_length_b [4.... |
agm2000057834 | GdN3Sn3 | data_[Gd1Sn3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4389]
_cell_length_b [21.1479]
_cell_length_c [6.6668]
_cell_... |
agm001714503 | CsI2PbTe | data_[Cs1Te1Pb1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.7687]
_cell_length_b [6.7... |
agm005975261 | NaPb6Tl3 | data_[Na2Tl6Pb12]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2728]
_cell_length_b [5.6422]
_cell_length_c [12.2857]... |
agm001377536 | AlAuNpPa | data_[Np4Pa4Al4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0111]
_cell_length_b [7.... |
agm004538987 | NbP3Rh4Th2 | data_[Th2Nb1P3Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Nb 1.6000 1.4500 0.8200
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1031]
_cell_length_b [4.10... |
agm003680278 | Al5ErHo7 | data_[Ho14Er2Al10]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0847]
_cell_length_b [10.2187]
_cell_length_c [10.6331]... |
agm005568886 | Dy2La2Tb7 | data_[La4Tb14Dy4]
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
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3123]
_cell_length_b [11.6307]
_cell_length_c [6.1443]
... |
agm005203781 | HIrPTh | data_[Th2P2H2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9967]
_cell_length_b [3.996... |
agm003676580 | Ba5PbSe6 | data_[Ba10Pb2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [8.0975]
_cell_length_b [14.0240]
_cell_length_c [8.0927]
... |
agm003936873 | BeK2Mo | data_[K6Be3Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9316]
_cell_length_b [2.9316]
_cell_length_c [36.3053]
_cel... |
oqmd-6618276 | DyNd2 | data_[Nd16Dy8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.4249]
_cell_length_b [9.4249]
_cell_length_c [9.4249]
_cell_angle_alpha [90.0000]
_cell... |
agm006043382 | Hg8PbSc6 | data_[Sc18Hg24Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.3422]
_cell_length_b [8.3422]
_cell_length_c [18.3052]
_... |
agm003287516 | Al2Pm3 | data_[Pm6Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5076]
_cell_length_b [3.5076]
_cell_length_c [22.2659]
_cell_angle_alpha [90.0000]
_cel... |
agm002052343 | CaRuTl | data_[Ca4Tl4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8587]
_cell_length_b [7.0975]
_cell_length_c [8.1969]
_ce... |
agm003553813 | AgCu3Ho4 | data_[Ho4Cu3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7261]
_cell_length_b [4.5669]
_cell_length_c [10.3967]
_c... |
agm004768545 | Cs2InMnO4 | data_[Cs16Mn8In8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7639]
_cell_length_b [13.... |
agm005194153 | CdCoDySc | data_[Dy1Sc1Cd1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3072]
_cell_length_b [3.3... |
agm005196592 | AuGaSnTl | data_[Tl1Ga1Sn1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5709]
_cell_length_b [3.5... |
agm005795880 | AcCu6Sc2 | data_[Ac2Sc4Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6917]
_cell_length_b [7.2545]
_cell_length_c [12.6079]
_... |
agm003720938 | BiPd3Sm | data_[Sm4Bi4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.5593]
_cell_length_b [7.9683]
_cell_length_c [9.5430]
_c... |
agm005753166 | Pt6ThTi | data_[Th1Ti1Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1131]
_cell_length_b [4.1131]
_cell_length_c [8.1297]
_... |
agm005995970 | Br8K6Mn | data_[K18Mn3Br24]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7544]
_cell_length_b [9.7544]
_cell_length_c [19.1495]
_ce... |
agm003040518 | AuBTi | data_[Ti4B4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3862]
_cell_length_b [14.6992]
_cell_length_c [3.1001]
_cel... |
agm002788062 | AlOsRe2 | data_[Al4Re8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.2491]
_cell_length_b [7.2491]
_cell_length_c [5.1086]
_c... |
oqmd-4544523 | AuCrCsSe3 | data_[Cs4Cr4Au4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8227]
_cell_length_b [16... |
agm003521167 | As2CaPd8 | data_[Ca1As2Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5914]
_cell_length_b [5.5914]
_cell_length_c [7.3848]
_... |
agm003477947 | Ni2PbTb5 | data_[Tb20Ni8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7544]
_cell_length_b [7.7544]
_cell_length_c [13.4410]... |
agm003498704 | I6MgMn2 | data_[Mg4Mn8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3760]
_cell_length_b [13.0243]
_cell_length_c [7.6776]
_c... |
agm004003356 | ClMoSi2 | data_[Si4Mo2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2371]
_cell_length_b [6.8297]
_cell_length_c [2.7489]
_ce... |
agm005915101 | Ba8N2O | data_[Ba16N4O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3382]
_cell_length_b [10.4947]
_cell_length_c [7.0537]
_cel... |
agm004006983 | IrPt2Si | data_[Si1Ir1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8837]
_cell_length_b [3.9156]
_cell_length_c [5.4181]
_ce... |
agm004854307 | AgBr2La4Rh | data_[La4Ag1Rh1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4941]
_cell_length_b [4.2... |
agm2000133322 | Br6Na2P | data_[Na2P1Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.1793]
_cell_length_b [7.1793]
_cell_length_c [17.9480]
_ce... |
oqmd-6281532 | Ca5Ge3N2Yb2 | data_[Ca10Yb4Ge6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7324]
_cell_length_b [23.3... |
agm005461929 | Be2Se | data_[Be8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [3.5936]
_cell_length_b [7.2768]
_cell_length_c [8.0945]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-9368919 | Ge2HoTa2Tm | data_[Ho1Tm1Ta2Ge2]
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
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0101]
_cell_length_b [4.0... |
agm004733769 | CaCe3Pr4Te8 | data_[Ca3Ce9Pr12Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0204]
_cell_length_b [9... |
agm005967898 | Pd3PtSc3 | data_[Sc12Pd12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [8.0210]
_cell_length_b [8.0210]
_cell_length_c [8.0210]
... |
agm001427871 | AsFeO2Ti | data_[Ti1Fe1As1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6188]
_cell_length_b [3.6... |
agm002653142 | CPTc2 | data_[Tc8P4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6673]
_cell_length_b [5.6673]
_cell_length_c [5.6673]
_cell_... |
agm003350776 | Ga7Tc2Tm3 | data_[Tm6Ga14Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6875]
_cell_length_b [22.6620]
_cell_length_c [4.6793]
_... |
agm004080694 | CoK2Sr | data_[K4Sr2Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5721]
_cell_length_b [4.2666]
_cell_length_c [12.0282]
_cell_... |
oqmd-2194237 | CoMn2Sb | data_[Mn8Co4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9647]
_cell_length_b [5.9647]
_cell_length_c [5.9647]
_c... |
agm001697980 | AuF2NW | data_[W1Au1N1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
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 [4.7077]
_cell_length_b [4.7077]... |
agm005683145 | Ac2CaPr6 | data_[Ca2Ac4Pr12]
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
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5722]
_cell_length_b [8.5127]
_cell_length_c [11.3298]
_c... |
oqmd-2009201 | AuLi4O6Os | data_[Li8Os2Au2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5364]
_cell_length_b [8.8576... |
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