Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001454906 | GaNbSSn2 | data_[Nb1Ga1Sn2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2575]
_cell_length_b [5.2... |
agm004526071 | GaNi4Sm2Sn3 | data_[Sm2Ga1Ni4Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3325]
_cell_length_b [4.... |
oqmd-3060590 | AlMn2W | data_[Mn2Al1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1359]
_cell_length_b [4.1359]
_cell_length_c [2.9849]
_ce... |
agm002871267 | OPtZn2 | data_[Zn8Pt4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.8614]
_cell_length_b [5.8614]
_cell_length_c [6.8782]
_cel... |
agm001671435 | AgRb2STe | data_[Rb2Ag1Te1S1]
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
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.5891]
_cell_length_b [6.5... |
agm005516895 | AlNi3Si3 | data_[Al2Si6Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.4666]
_cell_length_b [6.9415]
_cell_length_c [7.5150]
_ce... |
agm005942618 | Ag3Er4Pd | data_[Er4Ag3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5616]
_cell_length_b [3.5616]
_cell_length_c [14.3663]
... |
agm005015211 | BrLi2RbTe | data_[Rb2Li4Te2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.5792]
_cell_length_b [4.5... |
agm005649359 | Ho4Sm5Tm2 | data_[Sm10Ho8Tm4]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8644]
_cell_length_b [6.9641]
_cell_length_c [9.6451]
_... |
oqmd-3143986 | AgCrYb | data_[Yb4Cr4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6842]
_cell_length_b [6.6842]
_cell_length_c [6.6842]
_c... |
agm002961856 | Be2Os2Ta | data_[Ta2Be4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7980]
_cell_length_b [6.7980]
_cell_length_c [2.8291]
_... |
agm003463607 | PdSb2Sm4 | data_[Sm8Sb4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8879]
_cell_length_b [4.3368]
_cell_length_c [7.4145]
_c... |
agm003567022 | Cd3MgY5 | data_[Y10Mg2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2376]
_cell_length_b [9.2376]
_cell_length_c [6.7117]
... |
agm006031625 | Co2Sc4Tl | data_[Sc8Tl2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7860]
_cell_length_b [4.7860]
_cell_length_c [13.4427... |
agm001505365 | CsH2WZn | data_[Cs1Zn1H2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3399]
_cell_length_b [4.339... |
agm002003375 | NNi2Zn | data_[Zn3Ni6N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7341]
_cell_length_b [2.7341]
_cell_length_c [21.6738]
_cel... |
agm003581948 | Tb7ThY3 | data_[Tb7Y3Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0734]
_cell_length_b [7.0734]
_cell_length_c [8.6716]
_cell... |
agm003410949 | Au3CaGa2 | data_[Ca2Ga4Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5719]
_cell_length_b [4.5719]
_cell_length_c [13.1205... |
agm004705709 | Au12Be3Ca4Sn | data_[Ca8Be6Sn2Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.5036]
_cell_length_b [9... |
agm002698116 | GaMg2Mo | data_[Mg8Ga4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5666]
_cell_length_b [6.5666]
_cell_length_c [6.5666]
_c... |
oqmd-3362271 | HfMnSnTa | data_[Hf4Ta4Mn4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6719]
_cell_length_b [6.... |
agm003774475 | CeEr6Y | data_[Ce1Y1Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9779]
_cell_length_b [4.9779]
_cell_length_c [9.9269]
_ce... |
agm004976947 | Co2IrPtSe6 | data_[Co8Ir4Pt4Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4986]
_cell_length_b [1... |
agm003673517 | PuRb5Te5 | data_[Rb10Pu2Te10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pu 1.2800 1.7500 0.9675
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8555]
_cell_length_b [6.8265]
_cell_length_c [9.9327]
... |
oqmd-9160914 | MnO8P2Pb | data_[Mn2P4Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8451]
_cell_length_b [5.1445... |
agm005556354 | Au2Ba3Ge2 | data_[Ba6Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6283]
_cell_length_b [4.7325]
_cell_length_c [20.8201]
_c... |
agm005723774 | CoOs2Ta3 | data_[Ta12Co4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4127]
_cell_length_b [13.5053]
_cell_length_c [6.2925]
_... |
agm002898188 | Cd2IrTi | data_[Ti4Cd8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.8405]
_cell_length_b [7.8405]
_cell_length_c [5.2257]
_c... |
agm001399086 | MgMnPaRh | data_[Mg4Pa4Mn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5727]
_cell_length_b [6.... |
agm004249733 | AsBaCa2 | data_[Ba1Ca2As1]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0942]
_cell_length_b [4.0942]
_cell_length_c [8.6509]
_ce... |
agm002108190 | ClCrNa2 | data_[Na8Cr4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7701]
_cell_length_b [3.4764]
_cell_length_c [9.4336]
_cel... |
oqmd-5736046 | Ba2H6PdRh | data_[Ba4H12Pd2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8091]
_cell_length_b [5.... |
agm005699693 | HoMg11Ni | data_[Ho2Mg22Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6018]
_cell_length_b [14.3483]
_cell_length_c [7.5859]
_... |
agm001028479 | CrNbSe | data_[Nb2Cr2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2869]
_cell_length_b [3.2869]
_cell_length_c [10.7426]
_... |
agm002685107 | CrH2Nb | data_[Nb4Cr4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2433]
_cell_length_b [5.2433]
_cell_length_c [5.2433]
_cel... |
agm001264344 | NNpSn | data_[Np1Sn1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7039]
_cell_length_b [3.7039]
_cell_length_c [5.2511]
_cel... |
agm004771743 | AcDy2Pm4Pr | data_[Ac1Pm4Pr1Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1936]
_cell_length_b [5... |
agm005101399 | AgErPaS6 | data_[Er1Pa1Ag1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.5076]
_cell_length_b [6.507... |
agm005888346 | BiIn8Sn2 | data_[In16Sn4Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6718]
_cell_length_b [6.3600]
_cell_length_c [5.6892]
_... |
agm005887134 | Ag3CuZn2 | data_[Zn8Cu4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [C2/m]
_cell_length_a [13.3372]
_cell_length_b [2.9025]
_cell_length_c [10.4565]
... |
agm001122773 | FPu2Sb | data_[Pu2Sb1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5115]
_cell_length_b [3.5115]
_cell_length_c [7.3261]
_ce... |
agm004404009 | CoK2Re | data_[K4Co2Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1598]
_cell_length_b [4.4713]
_cell_length_c [11.4541]
_cel... |
agm003312908 | Ba2Rh3Tl2 | data_[Ba4Tl4Rh6]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1737]
_cell_length_b [4.6171]
_cell_length_c [7.3066]
_c... |
agm001308395 | PbPmRuY | data_[Pm4Y4Ru4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3399]
_cell_length_b [7.33... |
agm005943255 | AgDy4In3 | data_[Dy4In3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5678]
_cell_length_b [3.5678]
_cell_length_c [16.2711]
... |
agm002374994 | HoI6K2 | data_[K8Ho4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ho 1.2300 1.7500 1.0410
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.7848]
_cell_length_b [11.7848]
_cell_length_c [11.7848]
_c... |
agm003792300 | AsOs2Rh | data_[As2Os4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9090]
_cell_length_b [2.8461]
_cell_length_c [10.5482]
_c... |
agm001322932 | CdEuSnZn | data_[Eu4Zn4Cd4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3332]
_cell_length_b [7.... |
agm003423425 | La3Sb2Tm | data_[La12Tm4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.2407]
_cell_length_b [14.6789]
_cell_length_c [8.2185]
_... |
agm001479252 | CaMn2RuZr | data_[Ca1Zr1Mn2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4425]
_cell_length_b [4... |
agm001281093 | FeV3 | data_[V6Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4438]
_cell_length_b [3.4438]
_cell_length_c [8.6165]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001390171 | AlHgScSm | data_[Sm4Sc4Al4Hg4]
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
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2418]
_cell_length_b [7.... |
agm005152612 | Ho5NdSc2Y | data_[Nd4Y4Ho20Sc8]
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
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5765]
_cell_length_b [21... |
agm001500484 | HgMnRbSi2 | data_[Rb1Mn1Si2Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7816]
_cell_length_b [5... |
agm004862285 | As4NdSrTh2 | data_[Sr1Nd1Th2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4667]
_cell_length_b [4.3... |
agm004674402 | CrFe2O9Sr3 | data_[Sr3Cr1Fe2O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5229]
_cell_length_b [5.52... |
agm005597177 | Dy3Th6Tm2 | data_[Dy9Tm6Th18]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5657]
_cell_length_b [3.5657]
_cell_length_c [94.6819]
_... |
agm002672143 | FRb2Re | data_[Rb8Re4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Re 1.9000 1.3500 0.7125
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2693]
_cell_length_b [8.2693]
_cell_length_c [8.2693]
_cel... |
agm002913091 | BrSb2Tl2 | data_[Tl4Sb4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7598]
_cell_length_b [5.7598]
_cell_length_c [9.9674]
_... |
agm002906537 | Cd2NbZr | data_[Zr4Nb4Cd8]
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 [I-42d]
_cell_length_a [7.9827]
_cell_length_b [7.9827]
_cell_length_c [5.5335]
_c... |
agm004926147 | Ac2AlNiPt6 | data_[Ac4Al2Ni2Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2526]
_cell_length_b [5... |
agm001935668 | HPrY2 | data_[Pr3Y6H3]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5232]
_cell_length_b [3.5232]
_cell_length_c [28.8303]
_cell_... |
agm004393759 | Ta2TcZr | data_[Zr3Ta6Tc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0781]
_cell_length_b [3.0781]
_cell_length_c [27.2360]
_ce... |
oqmd-3168667 | LaNNiO | data_[La2Ni2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.7921]
_cell_length_b [5.673... |
agm002211554 | Fe2HoZn2 | data_[Ho2Zn4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7947]
_cell_length_b [3.7947]
_cell_length_c [11.3930]
... |
agm004493883 | AlO12Pu3Tl2 | data_[Pu9Al3Tl6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8369]
_cell_length_b [7.83... |
mp-531523 | Ga5LiO8 | data_[Li2Ga10O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [5.9431]
_cell_length_b [5.8416]
_cell_length_c [8.2970]
_ce... |
agm005084291 | Br6CdRbU | data_[Rb2U2Cd2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Cd 1.6900 1.5500 1.0900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.5269]
_cell_length_b [7.5... |
oqmd-1928266 | O6SbSmSr2 | data_[Sr4Sm2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8468]
_cell_length_b [5.... |
agm001297093 | CdHgNdPt | data_[Nd4Cd4Hg4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1320]
_cell_length_b [7.... |
oqmd-8906956 | C2CuFeZr4 | data_[Zr4Fe1Cu1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3083]
_cell_length_b [3.30... |
agm005088376 | CrF6KMg | data_[K2Mg2Cr2F12]
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
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.3249]
_cell_length_b [5.324... |
mp-768488 | B5Li3MnO10 | data_[Li6Mn2B10O20]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9876]
_cell_length_b [7.1895... |
agm002859290 | AsIrN2 | data_[As4Ir4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.8423]
_cell_length_b [4.8423]
_cell_length_c [9.2455]
_cel... |
agm002637313 | AsHfSe2 | data_[Hf4As4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7798]
_cell_length_b [6.7798]
_cell_length_c [6.7798]
_c... |
agm003331949 | Cd3Li3Tl2 | data_[Li6Tl4Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5912]
_cell_length_b [4.6879]
_cell_length_c [16.3997]
_c... |
agm006066846 | LaPr5Tb12 | data_[La2Tb24Pr10]
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
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5974]
_cell_length_b [17.4253]
_cell_length_c [6.0249]... |
agm004886647 | O8PaSi2Y | data_[Y2Pa2Si4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.9785]
_cell_length_b [6.978... |
agm003962845 | AlBrPb2 | data_[Al3Pb6Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5802]
_cell_length_b [3.5802]
_cell_length_c [31.4522]
_ce... |
oqmd-2530950 | CdCoGeMn | data_[Mn4Cd4Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1982]
_cell_length_b [6.... |
agm001054575 | BeCeI | data_[Ce4Be4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Be 1.5700 1.0500 0.5900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9001]
_cell_length_b [4.3883]
_cell_length_c [3.9260]
_cel... |
agm002549192 | Cd3NaY | data_[Na1Y1Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1420]
_cell_length_b [5.1420]
_cell_length_c [5.1420]
_cel... |
agm004914735 | CeCl8ErLi2 | data_[Li2Ce1Er1Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2878]
_cell_length_b [8.1... |
agm2000001617 | H3Y | data_[Y2H6]
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
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [3.6052]
_cell_length_b [17.2701]
_cell_length_c [6.0711]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm2000139215 | Br4CuNp | data_[Np2Cu2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.2622]
_cell_length_b [4.0184]
_cell_length_c [19.9506]... |
agm001400437 | CeEuMgPb | data_[Ce4Eu4Mg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8811]
_cell_length_b [7.... |
agm005016940 | Ge2OsPrTa | data_[Pr2Ta2Ge4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0989]
_cell_length_b [4.... |
oqmd-7778178 | BiEuIO2 | data_[Eu4Bi4I4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7558]
_cell_length_b [13.2502... |
agm005666612 | ClCu3Te2 | data_[Cu6Te4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2876]
_cell_length_b [7.6295]
_cell_length_c [9.8584]
_cel... |
agm005465419 | La4PbTc | data_[La16Tc4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tc 1.9000 1.3500 0.7417
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.9983]
_cell_length_b [8.9983]
_cell_length_c [8.9983]
_... |
agm002901466 | GeHf2V | data_[Hf8V4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.4511]
_cell_length_b [7.4511]
_cell_length_c [5.6112]
_cel... |
agm003989804 | IrLaRh | data_[La2Ir2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6444]
_cell_length_b [3.6444]
_cell_length_c [9.4760]
_ce... |
agm005850494 | H4LiTi | data_[Li1Ti1H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0708]
_cell_length_b [3.0708]
_cell_length_c [4.5851]
_ce... |
oqmd-5715448 | Pb2Rb2Se3 | data_[Rb8Pb8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [9.8222]
_cell_length_b [9.8222]
_cell_length_c [9.8222]
_... |
agm002648286 | BeFeRe2 | data_[Be4Fe4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8362]
_cell_length_b [5.8362]
_cell_length_c [5.8362]
_c... |
agm001330625 | CdKPbSr | data_[K4Sr4Cd4Pb4]
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
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 [8.2517]
_cell_length_b [8.25... |
agm003405095 | AlOs2Pa2 | data_[Pa4Al2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4065]
_cell_length_b [5.8851]
_cell_length_c [7.6722]
_ce... |
agm004592175 | Cs2F7InV2 | data_[Cs4V4In2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3128]
_cell_length_b [4.31... |
agm001806273 | CrCuSbTe2 | data_[Cr1Cu1Sb1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2148]
_cell_length_b [5... |
agm002349167 | NiRhYb | data_[Yb4Ni4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7619]
_cell_length_b [4.0444]
_cell_length_c [7.4048]
_ce... |
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