Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
mp-1209409 | NaO10P2RbTi2 | data_[Rb4Na4Ti8P8O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length... |
agm004572033 | Be2Na2NbO6 | data_[Na2Be2Nb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.3211]
_cell_length_b [5.3211... |
oqmd-4516533 | BaF2Fe2Te2 | data_[Ba1Fe2Te2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.6694]
_cell_length_b [3.66... |
agm2000132915 | I6Li2Zr | data_[Li2Zr1I6]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.2999]
_cell_length_b [7.2999]
_cell_length_c [18.3660]
_ce... |
agm004526635 | In3Pb4Rb2Sn | data_[Rb2In3Sn1Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.4145]
_cell_length_b [5.... |
agm001316288 | DyLiSnY | data_[Li4Dy4Y4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3763]
_cell_length_b [7.37... |
agm003711164 | PbPd3Sc | data_[Sc2Pd6Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4834]
_cell_length_b [5.6076]
_cell_length_c [7.6825]
_ce... |
agm003426181 | DyNi2Zn3 | data_[Dy6Zn18Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8892]
_cell_length_b [5.8892]
_cell_length_c [19.1467]
... |
agm001486078 | BC2HSb | data_[B1Sb1H1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2424]
_cell_length_b [3.2424]... |
agm005781782 | NbNi6Pt | data_[Nb8Ni48Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3081]
_cell_length_b [10.3845]
_cell_length_c [10.3907]
... |
oqmd-7769500 | Br5CY4 | data_[Y8C2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8158]
_cell_length_b [3.8216]
_cell_length_c [8.1447]
_cell... |
agm003955301 | CaLi2Zn | data_[Li4Ca2Zn2]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0264]
_cell_length_b [10.5149]
_cell_length_c [3.5720]
_c... |
agm003379686 | Ho3In4Nd4 | data_[Nd8Ho6In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6197]
_cell_length_b [9.4587]
_cell_length_c [19.4819]
_c... |
agm005732188 | La3NdTm | data_[La6Nd2Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.9017]
_cell_length_b [7.9017]
_cell_length_c [6.7009]... |
agm005846701 | I2SSr2 | data_[Sr6S3I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5152]
_cell_length_b [4.5152]
_cell_length_c [36.0837]
_cell_... |
oqmd-7114624 | FeOPSi | data_[Fe2Si2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5204]
_cell_length_b [7.952... |
oqmd-4047833 | Ga2GeTa2 | data_[Ta4Ga4Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8632]
_cell_length_b [3.8632]
_cell_length_c [12.8980]
... |
agm002858088 | NPt2Y | data_[Y4Pt8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.1265]
_cell_length_b [5.1265]
_cell_length_c [12.0200]
_cell... |
agm004793783 | Au4CaCd2Cu | data_[Ca3Cd6Cu3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8036]
_cell_length_b [4.... |
agm004459770 | AuOs | data_[Os6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [7.0817]
_cell_length_b [7.0817]
_cell_length_c [7.0817]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-3911374 | GdSb | data_[Gd4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.4647]
_cell_length_b [6.0264]
_cell_length_c [5.9866]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005012936 | CSc2SmTl | data_[Sm1Sc2Tl1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6230]
_cell_length_b [4.6... |
agm001089597 | Cs2HgPt | data_[Cs8Hg4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5336]
_cell_length_b [8.5336]
_cell_length_c [8.5336]
_c... |
agm005171224 | IrNdNi2Zn5 | data_[Nd1Zn5Ni2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6420]
_cell_length_b [4... |
agm004978689 | AcEr2Tb6Y | data_[Ac4Tb24Y4Er8]
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
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2185]
_cell_length_b [15.2... |
agm002338669 | AcGe2Pr | data_[Ac2Pr2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0737]
_cell_length_b [5.0737]
_cell_length_c [8.4911]
_... |
agm004461298 | HfNb | data_[Hf16Nb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.7842]
_cell_length_b [8.3994]
_cell_length_c [10.4744]
_cell_angle_alpha [90.0000]
_cel... |
oqmd-9794214 | Li2NiPb2PtY2 | data_[Li2Y2Ni1Pt1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length... |
agm003470789 | AgGa2Pr5 | data_[Pr10Ga4Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.1168]
_cell_length_b [7.1168]
_cell_length_c [8.7969]
... |
agm005198122 | INiPrY | data_[Pr3Y3Ni3I3]
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
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0867]
_cell_length_b [4.0867]
... |
agm001007446 | CHO | data_[H4C4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [2.6340]
_cell_length_b [4.1921]
_cell_length_c [13.5543]
_c... |
agm001008323 | BrCPu | data_[Pu4C4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8912]
_cell_length_b [11.9615]
_cell_length_c [4.0115]
_cel... |
agm002550676 | IrNb3Os | data_[Nb3Ir1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7714]
_cell_length_b [4.7714]
_cell_length_c [4.7714]
_c... |
agm003078052 | HRu3W | data_[H16Ru48W16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.2467]
_cell_length_b [10.2467]
_cell_length_c [10.2467]
... |
agm004608560 | DyEr3Pr2Se6 | data_[Pr4Dy2Er6Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0630]
_cell_length_b [4... |
agm004589794 | Ag2Br7RbZn2 | data_[Rb3Zn6Ag6Br21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.3409]
_cell_length_b [7.3... |
agm005998455 | IrPt2Tm5 | data_[Tm10Ir2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.5120]
_cell_length_b [11.8389]
_cell_length_c [4.2683]
_... |
agm005877052 | GeSnTh4 | data_[Th8Sn2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [7.5651]
_cell_length_b [7.5651]
_cell_length_c [6.1832]
_... |
oqmd-9878347 | ErGa3Ho2PdRh2 | data_[Ho4Er2Ga6Pd2Rh4]
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
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
agm005174522 | AuBi2CEr5 | data_[Er5Bi2Au1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6732]
_cell_length_b [4.6... |
agm005796002 | Mg2RbTl6 | data_[Rb2Mg4Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4740]
_cell_length_b [9.3784]
_cell_length_c [16.8164]
_... |
agm004521502 | Au4La2Si3Zn | data_[La2Zn1Si3Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3933]
_cell_length_b [4.... |
agm003546336 | Ga3SmY3 | data_[Sm2Y6Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.2460]
_cell_length_b [9.2460]
_cell_length_c [4.7982]
_ce... |
agm005153427 | NdSm5TbY2 | data_[Tb4Nd4Sm20Y8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6813]
_cell_length_b [20... |
agm004873901 | BBaO8Te2 | data_[Ba2B2Te4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1123]
_cell_length_b [4.833... |
agm005634262 | B2Er3Rh5 | data_[Er6B4Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7747]
_cell_length_b [9.7747]
_cell_length_c [3.2381]
_c... |
agm004340032 | Au2BeZr | data_[Zr2Be2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8496]
_cell_length_b [3.5409]
_cell_length_c [4.9446]
_cell... |
agm001406219 | AlCoDyTm | data_[Dy4Tm4Al4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9568]
_cell_length_b [6.... |
agm004155673 | AgCuSe2 | data_[Cu2Ag2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.5484]
_cell_length_b [7.1630]
_cell_length_c [7.3152]
_ce... |
oqmd-6715370 | CCrMnSi2Y2 | data_[Y4Mn2Cr2Si4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [1... |
agm004573136 | Ac2Cu2Se6Sm | data_[Ac6Sm3Cu6Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4397]
_cell_length_b [7.... |
oqmd-6800793 | Au5Ce2Hg | data_[Ce4Hg2Au10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8363]
_cell_length_b [6.7015]
_cell_length_c [11.4209]
_... |
agm004269443 | OsRe2Sr | data_[Sr2Re4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8230]
_cell_length_b [3.0646]
_cell_length_c [5.6606]
_ce... |
oqmd-5777939 | STeU | data_[U2Te2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2806]
_cell_length_b [5.2806]
_cell_length_c [6.0502]
_ce... |
agm005088258 | BiCrF6Tl | data_[Tl2Cr2Bi2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.0861]
_cell_length_b [6.0... |
agm2000062543 | CuLiP | data_[Li2Cu2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6066]
_cell_length_b [3.6066]
_cell_length_c [19.3066]
_c... |
oqmd-9431691 | K4O5Rh | data_[K8Rh2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [7.9883]
_cell_length_b [7.9883]
_cell_length_c [5.3357]
_cell_an... |
agm001487896 | CdK2PtTi | data_[K2Ti1Cd1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2736]
_cell_length_b [6.2... |
agm003312736 | Ag2Ce2Ga3 | data_[Ce4Ga6Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5948]
_cell_length_b [4.5631]
_cell_length_c [6.6824]
_c... |
mp-1210107 | Cl7N5ReRu | data_[Re4Ru4N20Cl28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2756]
_cell_length_b [... |
agm004017543 | CrSr2Zr | data_[Sr6Zr3Cr3]
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
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6061]
_cell_length_b [3.6061]
_cell_length_c [34.0559]
_c... |
agm003683901 | Ni6YZn12 | data_[Y3Zn36Ni18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.9114]
_cell_length_b [10.9114]
_cell_length_c [8.2865]
_... |
agm002711402 | InNa2Rh | data_[Na8In4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9192]
_cell_length_b [6.9192]
_cell_length_c [6.9192]
_c... |
agm002011499 | LaTb2V | data_[La3Tb6V3]
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
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4125]
_cell_length_b [3.4125]
_cell_length_c [34.8981]
_cel... |
agm005899174 | InPd4Zn | data_[Zn4In4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4335]
_cell_length_b [2.9470]
_cell_length_c [17.5259]
_... |
agm005690327 | Er3Ho3Tm4 | data_[Ho6Er6Tm8]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6276]
_cell_length_b [13.0081]
_cell_length_c [13.0117]
_... |
agm004963479 | I6InK2Sm | data_[K6Sm3In3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6798]
_cell_length_b [8.6798]
... |
oqmd-3496825 | Ba4Cu3Ge20 | data_[Ba8Cu6Ge40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [10.7764]
_cell_length_b [10.7764]
_cell_length_c [10.7764... |
agm003593215 | Ga4NdNi4 | data_[Nd2Ga8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.1942]
_cell_length_b [8.1942]
_cell_length_c [4.4999]
_ce... |
agm003681346 | Pm5SmY8 | data_[Pm10Sm2Y16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6366]
_cell_length_b [9.6366]
_cell_length_c [10.2268]
_ce... |
oqmd-2033514 | Ba3ErO9Ru2 | data_[Ba6Er2Ru4O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8785]
_cell_length_b [... |
agm003752206 | Bi4PaPb | data_[Pa1Bi4Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7040]
_cell_length_b [5.7040]
_cell_length_c [6.7490]
_... |
agm002211923 | Br3FeSm3 | data_[Sm3Fe1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8726]
_cell_length_b [5.8726]
_cell_length_c [5.8726]
_c... |
agm004504651 | GaIn2La3Nd3 | data_[La3Nd3In2Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.1864]
_cell_length_b [9.... |
agm003547507 | Bi3HoNd3 | data_[Nd6Ho2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.7292]
_cell_length_b [9.7292]
_cell_length_c [6.3970]
_... |
oqmd-3631761 | AsOSTl | data_[Tl2As2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4436]
_cell_length_b [4.443... |
agm001107599 | Gd3NRh | data_[Gd3Rh1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7698]
_cell_length_b [4.7698]
_cell_length_c [4.7698]
_cel... |
agm001389575 | CeInLuSc | data_[Ce4Lu4Sc4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3928]
_cell_length_b [7.... |
agm002800441 | Be2SnY | data_[Y4Be8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.4162]
_cell_length_b [4.4162]
_cell_length_c [16.9570]
... |
agm004863410 | ErScTb4Tm2 | data_[Tb4Er1Tm2Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9607]
_cell_length_b [4... |
agm005904894 | Nb2S5Ta | data_[Ta4Nb8S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.5551]
_cell_length_b [13.0400]
_cell_length_c [13.2051]
_c... |
agm004958682 | ErScSe6Sm2 | data_[Sm6Er3Sc3Se18]
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
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1859]
_cell_length_b [7.18... |
agm004038318 | AlSeZn2 | data_[Al1Zn2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6119]
_cell_length_b [3.6119]
_cell_length_c [6.0009]
_ce... |
agm004588633 | Bi2CsO7Pa2 | data_[Cs2Pa4Bi4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.7185]
_cell_length_b [4.3... |
agm001851053 | NPm2 | data_[Pm6N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6224]
_cell_length_b [3.6224]
_cell_length_c [18.7647]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-9245392 | AcAs2Yb | data_[Ac1Yb1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.5232]
_cell_length_b [4.5232]
_cell_length_c [6.6924]
_c... |
agm006123318 | Hg4PuSm5 | data_[Sm5Pu1Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pu 1.2800 1.7500 0.9675
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7548]
_cell_length_b [3.7548]
_cell_length_c [19.7912]
... |
agm003817553 | Be2BrTl | data_[Be8Tl4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2221]
_cell_length_b [7.2221]
_cell_length_c [7.2221]
_c... |
agm001997685 | GdPtSr2 | data_[Sr6Gd3Pt3]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0098]
_cell_length_b [4.0098]
_cell_length_c [33.7578]
_c... |
agm003559707 | NdSb4Y3 | data_[Nd1Y3Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.2559]
_cell_length_b [6.2559]
_cell_length_c [6.2559]
_cel... |
agm003834290 | AlSbZr2 | data_[Zr4Al2Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0858]
_cell_length_b [3.9120]
_cell_length_c [10.6737]
_c... |
agm001649702 | CoMo2NRu | data_[Co1Mo2Ru1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0856]
_cell_length_b [4.0... |
agm003344655 | In2Li5Mg3 | data_[Li20Mg12In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.0720]
_cell_length_b [15.6159]
_cell_length_c [5.4711]... |
agm003931230 | CdP2Sb | data_[Cd2Sb2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2010]
_cell_length_b [3.9634]
_cell_length_c [14.0427]
_cel... |
oqmd-4979557 | OsSc2Zn | data_[Sc8Zn4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4656]
_cell_length_b [6.4656]
_cell_length_c [6.4656]
_c... |
agm003879242 | AuCl3 | data_[Au2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.6509]
_cell_length_b [5.6509]
_cell_length_c [5.6509]
_cell_angle_alpha [90.0000]
_cell_... |
agm003024523 | Ag2Ga2Ti | data_[Ti2Ga4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7976]
_cell_length_b [7.7976]
_cell_length_c [2.8661]
_... |
agm004809166 | DyIn4PrTm2 | data_[Pr3Dy3Tm6In12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3364]
_cell_length_b [5.... |
agm003656786 | Nb4STe5 | data_[Nb8Te10S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0769]
_cell_length_b [3.6335]
_cell_length_c [7.9800]
_ce... |
oqmd-9856599 | GdLaPt4Sn2 | data_[La1Gd1Sn2Pt4]
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
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6138]
_cell_length_b [4.... |
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