Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-13265 | ErAgSn | data_[Er3Ag3Sn3]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3817]
_cell_length_b [7.3817]
_cell_length_c [4.4857]
_c... |
mp-763989 | Mn3(OF2)2 | data_[Mn12O8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4960]
_cell_length_b [7.1649]
_cell_length_c [9.4564]
_cell... |
mp-1025568 | MnAg2GeTe4 | data_[Mn2Ag4Ge2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2788]
_cell_length_b [6.... |
mp-1113539 | Cs2CoAgF6 | data_[Cs8Co4Ag4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9459]
_cell_length_b [8.9... |
mp-546864 | Y2C(NO)2 | data_[Y2C1N2O2]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7446]
_cell_length_b [3.7446]
_c... |
mp-1223246 | La2GaNiO6 | data_[La6Ga3Ni3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5930]
_cell_length_b [5.593... |
mp-1216988 | Tm(VFe5)2 | data_[Tm2V4Fe20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6915]
_cell_length_b [8.4403]
_cell_length_c [8.4415]
_cel... |
mp-1228436 | Al3GaN4 | data_[Al3Ga1N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0777]
_cell_length_b [3.1486]
_cell_length_c [5.4516]
_cell_a... |
mp-1206269 | ErSiOs2C | data_[Er4Si4Os8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8346]
_cell_length_b [11.15... |
mp-1027581 | Te2Mo2SeS | data_[Te4Mo4Se2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3987]
_cell_length_b [3.398... |
mp-865221 | Dy2IrPd | data_[Dy8Ir4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9265]
_cell_length_b [6.9265]
_cell_length_c [6.9265]
_c... |
mp-1079329 | HoZnPd | data_[Ho3Zn3Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2890]
_cell_length_b [7.2890]
_cell_length_c [3.8357]
_c... |
mp-567808 | Tm(CuGe)2 | data_[Tm2Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0136]
_cell_length_b [4.0136]
_cell_length_c [10.3599]
... |
mp-1578 | V3Rh | data_[V6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.7829]
_cell_length_b [4.7829]
_cell_length_c [4.7829]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-12451 | LiLa2OsO6 | data_[Li2La4Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5815]
_cell_length_b [5.... |
mp-510437 | In3Pd2 | data_[In3Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6417]
_cell_length_b [4.6417]
_cell_length_c [5.5859]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753829 | Cr2O3 | data_[Cr12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1282]
_cell_length_b [5.1282]
_cell_length_c [14.3812]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1025948 | Mo2W(SeS2)2 | data_[Mo2W1Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2306]
_cell_length_b [3.2306]... |
mp-1076048 | Na2V2O5 | data_[Na8V8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.4628]
_cell_length_b [5.6358]
_cell_length_c [5.4047]
_cell... |
mp-8666 | CsAgO | data_[Cs8Ag8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.4543]
_cell_length_b [10.4543]
_cell_length_c [6.3020]
_... |
mp-1079197 | Ho(SiIr)2 | data_[Ho2Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1221]
_cell_length_b [4.1221]
_cell_length_c [9.8692]
_... |
mp-1076987 | TaNiB | data_[Ta4Ni4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2957]
_cell_length_b [13.2907]
_cell_length_c [3.0560]
_cel... |
mp-1184733 | GdTh3 | data_[Gd1Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1967]
_cell_length_b [5.1967]
_cell_length_c [5.1967]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104088 | Tb3Pd4 | data_[Tb18Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.3173]
_cell_length_b [13.3173]
_cell_length_c [5.7408]
_cell_angle_alpha [90.0000]
_cel... |
mp-1217515 | Ti13Pb3 | data_[Ti13Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7916]
_cell_length_b [5.9895]
_cell_length_c [10.3137]
_cell_angle_alpha [90.0000]
_cell... |
mp-978549 | SmLuZn2 | data_[Sm4Lu4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1583]
_cell_length_b [7.1583]
_cell_length_c [7.1583]
_c... |
mp-1218747 | Sr2Mn2Cu(AsO)2 | data_[Sr4Mn4Cu2As4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length... |
mp-1217364 | Th2(FeNi)5 | data_[Th2Fe5Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9924]
_cell_length_b [5.0429]
_cell_length_c [8.6413]
_ce... |
mp-865459 | Lu2AgRu | data_[Lu8Ag4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8688]
_cell_length_b [6.8688]
_cell_length_c [6.8688]
_c... |
mp-606604 | CsLi2F3 | data_[Cs2Li4F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0568]
_cell_length_b [4.0568]
_cell_length_c [10.2846]
_c... |
mp-11108 | SrP3 | data_[Sr4P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2399]
_cell_length_b [7.3526]
_cell_length_c [5.7441]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-27763 | UIN | data_[U2I2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9096]
_cell_length_b [3.9096]
_cell_length_c [9.5246]
_cell_a... |
mp-1226650 | CeAl3Ag | data_[Ce2Al6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3567]
_cell_length_b [4.3567]
_cell_length_c [10.9788]
_c... |
mp-1213104 | CsSrBr3 | data_[Cs4Sr4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6190]
_cell_length_b [11.8755]
_cell_length_c [8.2543]
_... |
mp-9195 | BaCuSeF | data_[Ba2Cu2Se2F2]
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
Se 2.5500 1.1500 1.0133
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2635]
_cell_length_b [4.2... |
mp-628568 | FeCu2SnS4 | data_[Fe1Cu2Sn1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.4669]
_cell_length_b [5.46... |
mp-1188477 | LiH2N | data_[Li4H8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_2/ncm]
_cell_length_a [3.7605]
_cell_length_b [3.7605]
_cell_length_c [8.2389]
_ce... |
mp-558992 | In7GeIrO8 | data_[In28Ge4Ir4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.3060]
_cell_length_b [1... |
mp-1227016 | Cd5TeS4 | data_[Cd10Te2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2940]
_cell_length_b [4.2940]
_cell_length_c [35.0826]
_ce... |
mp-21509 | LaMgGa | data_[La3Mg3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6019]
_cell_length_b [7.6019]
_cell_length_c [4.6258]
_c... |
mp-978534 | SiGe | data_[Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.9406]
_cell_length_b [3.9406]
_cell_length_c [6.5087]
_cell_angle_alpha [90.0000]
_cell... |
mp-1276866 | SrLaFeCoO6 | data_[Sr4La4Fe4Co4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1247859 | Ag5Au3S4 | data_[Ag5Au3S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6356]
_cell_length_b [4.8127]
_cell_length_c [13.6247]
_cell_... |
mp-998624 | NaOsO3 | data_[Na6Os6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.4286]
_cell_length_b [5.4286]
_cell_length_c [13.1871]
_ce... |
mp-1225601 | Er4MnS7 | data_[Er8Mn2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4910]
_cell_length_b [3.7757]
_cell_length_c [11.4129]
_cel... |
mp-1069288 | MnGa4 | data_[Mn2Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.6170]
_cell_length_b [5.6170]
_cell_length_c [5.6170]
_cell_angle_alpha [90.0000]
_cell_... |
mp-864909 | HfAlRu2 | data_[Hf4Al4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2712]
_cell_length_b [6.2712]
_cell_length_c [6.2712]
_c... |
mp-978847 | SrGaGeH | data_[Sr1Ga1Ge1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2647]
_cell_length_b [4.264... |
mp-866004 | Er2InAg | data_[Er8In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3709]
_cell_length_b [7.3709]
_cell_length_c [7.3709]
_c... |
mp-540969 | V2ZnO6 | data_[V4Zn2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4852]
_cell_length_b [3.5524]
_cell_length_c [6.7946]
_cell_... |
mp-1111081 | K3PdF6 | data_[K12Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0702]
_cell_length_b [9.0702]
_cell_length_c [9.0702]
_cel... |
mp-19171 | Y(FeO2)2 | data_[Y3Fe6O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5414]
_cell_length_b [3.5414]
_cell_length_c [25.2614]
_cell... |
mp-22317 | EuGa2 | data_[Eu4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.6320]
_cell_length_b [7.5818]
_cell_length_c [7.6769]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-27834 | Tl2PtCl6 | data_[Tl8Pt4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.1085]
_cell_length_b [10.1085]
_cell_length_c [10.1085... |
mp-8590 | K2HfF6 | data_[K4Hf2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [6.5756]
_cell_length_b [6.5756]
_cell_length_c [8.8413]
_cel... |
mp-9538 | Ag3AsS4 | data_[Ag6As2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9542]
_cell_length_b [7.0325]
_cell_length_c [6.6899]
_ce... |
mp-1221811 | Mn3NiO4 | data_[Mn3Ni1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1486]
_cell_length_b [3.1486]
_cell_length_c [8.8908]
_ce... |
mp-8407 | Li3LaP2 | data_[Li3La1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2366]
_cell_length_b [4.2366]
_cell_length_c [6.8791]
_cel... |
mp-752433 | LiLa3Ti4O12 | data_[Li2La6Ti8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9531]
_cell_length_b [7.8008... |
mp-972659 | SmCoSi3 | data_[Sm2Co2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0929]
_cell_length_b [4.0929]
_cell_length_c [9.5674]
_ce... |
mp-3439 | SbPO4 | data_[Sb2P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8734]
_cell_length_b [6.8849]
_cell_length_c [5.2882]
_cell... |
mp-865126 | NaTlPd2 | data_[Na4Tl4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6705]
_cell_length_b [6.6705]
_cell_length_c [6.6705]
_c... |
mp-865866 | LiZrPt2 | data_[Li4Zr4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4439]
_cell_length_b [6.4439]
_cell_length_c [6.4439]
_c... |
mp-3882 | Sm(SiRh)2 | data_[Sm2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0949]
_cell_length_b [4.0949]
_cell_length_c [10.1102]
... |
mp-675543 | Bi2PbSe4 | data_[Bi6Pb3Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2451]
_cell_length_b [4.2451]
_cell_length_c [40.1854]
_... |
mp-1217714 | Tb2(B2Rh3)3 | data_[Tb2B6Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6166]
_cell_length_b [5.6166]
_cell_length_c [8.5855]
_ce... |
mp-1223265 | La2Ge3 | data_[La4Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1709]
_cell_length_b [4.3135]
_cell_length_c [14.6845]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189148 | Lu3Ru | data_[Lu12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2204]
_cell_length_b [8.9129]
_cell_length_c [6.1356]
_cell_angle_alpha [90.0000]
_cell_... |
mp-608490 | NaHgCl3 | data_[Na4Hg4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4908]
_cell_length_b [4.1976]
_cell_length_c [18.2406]
_... |
mp-2058 | Ni3B | data_[Ni12B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.1772]
_cell_length_b [6.6205]
_cell_length_c [4.3844]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1106117 | La5AgPb3 | data_[La10Ag2Pb6]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8863]
_cell_length_b [9.8863]
_cell_length_c [6.9708... |
mp-23417 | InSn2I5 | data_[In4Sn8I20]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.9220]
_cell_length_b [8.9220]
_cell_length_c [15.6535]
_... |
mvc-11768 | Ca3(FeN2)2 | data_[Ca6Fe4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8575]
_cell_length_b [10.2240]
_cell_length_c [5.9210]
_cel... |
mp-1187681 | YbEu3 | data_[Yb4Eu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7450]
_cell_length_b [8.7450]
_cell_length_c [8.7450]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205627 | Nb(SeI)2 | data_[Nb4Se8I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2762]
_cell_length_b [12.2044]
_cell_length_c [8.1224]
_cel... |
mp-1218718 | Sr2PrGaO5 | data_[Sr16Pr8Ga8O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.6819]
_cell_length_b [9.7... |
mp-1209951 | NaYbCu2F8 | data_[Na2Yb2Cu4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [5.4301]
_cell_length_b [5.43... |
mp-1184867 | HoTmHg2 | data_[Ho4Tm4Hg8]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3868]
_cell_length_b [7.3868]
_cell_length_c [7.3868]
_c... |
mp-1188730 | Pr(HoS2)3 | data_[Pr2Ho6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0853]
_cell_length_b [3.9865]
_cell_length_c [11.3131]
... |
mp-11566 | ScZn | data_[Sc1Zn1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3565]
_cell_length_b [3.3565]
_cell_length_c [3.3565]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222212 | Mg3H2(SO5)2 | data_[Mg6H4S4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9204]
_cell_length_b [5.5667]... |
mp-1002104 | LaPt | data_[La4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9901]
_cell_length_b [11.1237]
_cell_length_c [4.5992]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23310 | Yb4Bi3 | data_[Yb16Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.6418]
_cell_length_b [9.6418]
_cell_length_c [9.6418]
_cell_angle_alpha [90.0000]
_cel... |
mp-1013526 | VS2 | data_[V3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1936]
_cell_length_b [3.1936]
_cell_length_c [19.2901]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-756622 | LiY3WO8 | data_[Li1Y3W1O8]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.9448]
_cell_length_b [5.9692]
_ce... |
mp-145 | Lu | data_[Lu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5248]
_cell_length_b [3.5248]
_cell_length_c [5.4706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1188249 | TmB2Os | data_[Tm4B8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8419]
_cell_length_b [5.2799]
_cell_length_c [6.3276]
_cell... |
mp-1185138 | LaPrZn2 | data_[La4Pr4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4727]
_cell_length_b [7.4727]
_cell_length_c [7.4727]
_c... |
mp-4530 | Cd2SiO4 | data_[Cd16Si8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.1053]
_cell_length_b [10.0211]
_cell_length_c [12.0058]
_... |
mp-13525 | HoInIr | data_[Ho3In3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4979]
_cell_length_b [7.4979]
_cell_length_c [3.9619]
_c... |
mp-973153 | ScAlPt2 | data_[Sc4Al4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3991]
_cell_length_b [6.3991]
_cell_length_c [6.3991]
_c... |
mp-1226652 | Co3Ni9P4 | data_[Co3Ni9P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3735]
_cell_length_b [6.6501]
_cell_length_c [6.6670]
_cell_a... |
mp-30413 | TbPbAu | data_[Tb4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8657]
_cell_length_b [6.8657]
_cell_length_c [6.8657]
_c... |
mp-643367 | YCBr | data_[Y4C4Br4]
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 [7.0812]
_cell_length_b [3.8468]
_cell_length_c [10.0442]
_cell_... |
mp-570499 | La5(BN3)2 | data_[La10B4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5621]
_cell_length_b [3.7062]
_cell_length_c [9.0626]
_cel... |
mp-1104112 | LiTi2O4 | data_[Li4Ti8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0292]
_cell_length_b [4.0163]
_cell_length_c [6.5979]
_ce... |
mp-754206 | LiBi3(ClO2)2 | data_[Li4Bi12Cl8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5107]
_cell_length_b [12.... |
mp-1219845 | Pr2ZnBi4 | data_[Pr2Zn1Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6165]
_cell_length_b [4.6165]
_cell_length_c [10.0965]
_... |
mp-1183174 | AcZn2Cd | data_[Ac4Zn8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3037]
_cell_length_b [7.3037]
_cell_length_c [7.3037]
_c... |
mp-1410 | DyN | data_[Dy4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.9127]
_cell_length_b [4.9127]
_cell_length_c [4.9127]
_cell_angle_alpha [90.0000]
_cell_an... |
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