Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-20831 | Gd4Sb3 | data_[Gd16Sb12]
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 [I-43d]
_cell_length_a [9.3447]
_cell_length_b [9.3447]
_cell_length_c [9.3447]
_cell_angle_alpha [90.0000]
_cel... |
mp-21000 | Dy(MnGe)2 | data_[Dy2Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9395]
_cell_length_b [3.9395]
_cell_length_c [10.8631]
... |
mp-1029245 | Te2MoWSe2 | data_[Te4Mo2W2Se4]
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
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4362]
_cell_length_b [3.436... |
mp-1114501 | Rb3PdF6 | data_[Rb12Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
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 [9.3782]
_cell_length_b [9.3782]
_cell_length_c [9.3782]
_c... |
mp-13322 | LiGeRh2 | data_[Li4Ge4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9308]
_cell_length_b [5.9308]
_cell_length_c [5.9308]
_c... |
mp-30536 | V5Sb4 | data_[V10Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8913]
_cell_length_b [9.8913]
_cell_length_c [3.4443]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1185103 | La3Tl | data_[La6Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9835]
_cell_length_b [4.9835]
_cell_length_c [10.5395]
_cell_angle_alpha [90.0000]
_cel... |
mp-972412 | TmLuIr2 | data_[Tm4Lu4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7424]
_cell_length_b [6.7424]
_cell_length_c [6.7424]
_c... |
mp-22967 | Li2FeBr4 | data_[Li4Fe2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8882]
_cell_length_b [11.0044]
_cell_length_c [3.8062]
_c... |
mp-3376 | Sr2SnO4 | data_[Sr4Sn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1178]
_cell_length_b [4.1178]
_cell_length_c [12.7015]
_c... |
mp-1178661 | YbMoClO4 | data_[Yb4Mo4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5756]
_cell_length_b [6.9... |
mp-753863 | Li2Ti2S5 | data_[Li8Ti8S20]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5505]
_cell_length_b [6.2265]
_cell_length_c [11.9177]
_c... |
mp-1518594 | KSrGdWO6 | data_[K4Sr4Gd4W4O24]
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
Gd 1.2000 1.8000 1.0750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-752461 | Mn6O5F7 | data_[Mn6O5F7]
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 [P1]
_cell_length_a [4.7942]
_cell_length_b [5.7489]
_cell_length_c [7.9077]
_cell_ang... |
mp-1070507 | Lu2AlNi2 | data_[Lu4Al2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0813]
_cell_length_b [5.3624]
_cell_length_c [8.1433]
_ce... |
mp-1211628 | KEr(CO3)2 | data_[K4Er4C8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5271]
_cell_length_b [9.4980]
... |
mp-546989 | V2MoO8 | data_[V4Mo2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.7132]
_cell_length_b [19.3825]
_cell_length_c [4.3332]
_cell... |
mp-559826 | ErCuS2 | data_[Er4Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [3.9615]
_cell_length_b [6.2433]
_cell_length_c [13.3335... |
mp-1229000 | AgSbSe2 | data_[Ag3Sb3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1108]
_cell_length_b [4.1108]
_cell_length_c [19.8640]
_c... |
mp-1111665 | K2LiRhF6 | data_[K8Li4Rh4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2031]
_cell_length_b [8.203... |
mp-865176 | HfCu3 | data_[Hf4Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1045]
_cell_length_b [6.1045]
_cell_length_c [6.1045]
_cell_angle_alpha [90.0000]
_cell... |
mp-1102926 | YGaCo | data_[Y4Ga4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8616]
_cell_length_b [4.2279]
_cell_length_c [7.3749]
_cell... |
mp-1185307 | LiAl2Cu | data_[Li4Al8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0147]
_cell_length_b [6.0147]
_cell_length_c [6.0147]
_c... |
mp-19327 | LuNiO3 | data_[Lu4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6295]
_cell_length_b [7.3185]
_cell_length_c [5.1010]
_cel... |
mp-4473 | Ba(CuSe)2 | data_[Ba4Cu8Se8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.6285]
_cell_length_b [4.2296]
_cell_length_c [10.8684]
_c... |
mp-1214092 | Ca(TmS2)2 | data_[Ca4Tm8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8557]
_cell_length_b [12.7512]
_cell_length_c [13.1854]
... |
mp-16321 | SrCuP | data_[Sr2Cu2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1297]
_cell_length_b [4.1297]
_cell_length_c [8.5153]
_... |
mp-867838 | AcAu3 | data_[Ac2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9153]
_cell_length_b [6.9153]
_cell_length_c [4.7680]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225825 | La3Gd(BrO)4 | data_[La3Gd1Br4O4]
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
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1079]
_cell_length_b [4.107... |
mp-1113459 | Cs2PrAgCl6 | data_[Cs8Pr4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0726]
_cell_length_b [... |
mp-753099 | Li3Co2(SiO4)2 | data_[Li3Co2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0563]
_cell_length_b [5.3398]... |
mp-1215336 | ZrAl6Mo | data_[Zr1Al6Mo1]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8751]
_cell_length_b [3.8751]
_cell_length_c [8.6940]
_... |
mp-756205 | ScBiO3 | data_[Sc4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9097]
_cell_length_b [8.1041]
_cell_length_c [5.6006]
_cel... |
mvc-5744 | ReWO6 | data_[Re4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6653]
_cell_length_b [7.6653]
_cell_length_c [7.6653]
_cell... |
mp-680731 | Tl2Te3 | data_[Tl8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.0217]
_cell_length_b [6.9559]
_cell_length_c [10.2739]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1223732 | InGaCuAgSe4 | data_[In2Ga2Cu2Ag2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
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 [I-4]
_cell_length... |
mp-21074 | Cr2HgO4 | data_[Cr16Hg8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.8512]
_cell_length_b [8.8512]
_cell_length_c [8.8512]
_c... |
mp-569776 | TaNi3 | data_[Ta4Ni12]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5395]
_cell_length_b [5.1174]
_cell_length_c [8.6324]
_cell_angle_alpha [90.0000]
_cel... |
mp-556418 | AlSCl3O2 | data_[Al2S2Cl6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4867]
_cell_length_b [7.7882]
... |
mp-34034 | Ba8P5Br | data_[Ba16P10Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.9426]
_cell_length_b [9.9426]
_cell_length_c [9.8953]
_cel... |
mp-1185239 | LiTl2Pd | data_[Li4Tl8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8552]
_cell_length_b [6.8552]
_cell_length_c [6.8552]
_c... |
mp-998917 | K2O2 | data_[K6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1438]
_cell_length_b [7.1438]
_cell_length_c [5.1230]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-30307 | DyBiRh | data_[Dy3Bi3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6815]
_cell_length_b [7.6815]
_cell_length_c [3.9901]
_c... |
mp-753457 | Li4Mn3OF11 | data_[Li4Mn3O1F11]
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 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7802]
_cell_length_b [6.1185]
... |
mp-756657 | V4FeCoO12 | data_[V8Fe2Co2O24]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.2069]
_cell_length_b [9.1301]... |
mp-20407 | NdFeO3 | data_[Nd4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6971]
_cell_length_b [7.8637]
_cell_length_c [5.5001]
_cel... |
mp-865752 | YbGa2Ir | data_[Yb4Ga8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4203]
_cell_length_b [6.4203]
_cell_length_c [6.4203]
_c... |
mp-1215823 | YUGa4 | data_[Y1U1Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0786]
_cell_length_b [4.2138]
_cell_length_c [7.3327]
_cell_a... |
mp-1486 | ZnNi | data_[Zn1Ni1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.8891]
_cell_length_b [2.8891]
_cell_length_c [2.8891]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8398 | CsYbF3 | data_[Cs1Yb1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Yb 1.1000 1.7500 1.0840
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5088]
_cell_length_b [4.5088]
_cell_length_c [4.5088]
_cel... |
mp-1187334 | TbDyIn2 | data_[Tb4Dy4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5530]
_cell_length_b [7.5530]
_cell_length_c [7.5530]
_c... |
mp-1185086 | LaYbTl2 | data_[La4Yb4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8647]
_cell_length_b [7.8647]
_cell_length_c [7.8647]
_c... |
mp-31443 | Li2InIr | data_[Li8In4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3203]
_cell_length_b [6.3203]
_cell_length_c [6.3203]
_c... |
mp-1205323 | Tb6OsI10 | data_[Tb6Os1I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Os 2.2000 1.3000 0.6730
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7577]
_cell_length_b [9.7635]
_cell_length_c [9.8053]
_cell... |
mp-1189636 | NdMg(NiH)4 | data_[Nd2Mg2Ni8H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.0516]
_cell_length_b [5.4... |
mp-1101909 | VCl5 | data_[V2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4134]
_cell_length_b [6.9336]
_cell_length_c [9.2560]
_cell_angle_alpha [110.1996]
_cell_an... |
mp-1209130 | Sc2InPd2 | data_[Sc8In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5280]
_cell_length_b [7.5280]
_cell_length_c [6.8712]... |
mp-1186760 | SrSn3 | data_[Sr1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8805]
_cell_length_b [4.8805]
_cell_length_c [4.8805]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1238786 | Li(CrS2)2 | data_[Li4Cr8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.1659]
_cell_length_b [7.1659]
_cell_length_c [9.7078]
... |
mp-5948 | Th(CuSi)2 | data_[Th2Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1065]
_cell_length_b [4.1065]
_cell_length_c [9.8652]
_... |
mp-1220003 | PPd4 | data_[P3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2061]
_cell_length_b [7.6567]
_cell_length_c [5.7501]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-554955 | MgCrF6 | data_[Mg3Cr3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [R-3]
_cell_length_a [5.2455]
_cell_length_b [5.2455]
_cell_length_c [13.4040]
_cel... |
mp-1206800 | ErCuSn | data_[Er2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5135]
_cell_length_b [4.5135]
_cell_length_c [7.2005]
_... |
mp-1212213 | Ho5BiPt2 | data_[Ho20Bi4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7582]
_cell_length_b [7.7582]
_cell_length_c [13.8979]... |
mp-753801 | Cs2Sr2O3 | data_[Cs4Sr4O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2271]
_cell_length_b [7.5155]
_cell_length_c [7.4528]
_ce... |
mp-636380 | Li(MoO2)2 | data_[Li4Mo8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.3429]
_cell_length_b [6.4012]
_cell_length_c [8.9312]
_cel... |
mp-19247 | ScVO4 | data_[Sc4V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.8641]
_cell_length_b [6.8641]
_cell_length_c [6.1695]
_c... |
mp-34787 | Ag7NO11 | data_[Ag21N3O33]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2385]
_cell_length_b [7.2385]
_cell_length_c [16.9706]
_cell... |
mp-976082 | Mn2GaW | data_[Mn8Ga4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9186]
_cell_length_b [5.9186]
_cell_length_c [5.9186]
_cel... |
mp-1219715 | PrYAl6 | data_[Pr1Y1Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4316]
_cell_length_b [6.4316]
_cell_length_c [4.5992]
_cel... |
mp-23891 | NaHO | data_[Na4H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4318]
_cell_length_b [11.5578]
_cell_length_c [3.4196]
_cell_... |
mp-1218988 | SmYCu4 | data_[Sm2Y2Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3477]
_cell_length_b [6.9393]
_cell_length_c [7.3985]
_cell... |
mp-636614 | YPb2 | data_[Y4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6372]
_cell_length_b [16.8737]
_cell_length_c [4.5651]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1214839 | Al3Bi(BO3)4 | data_[Al9Bi3B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.4259]
_cell_length_b [9.4259... |
mp-1094791 | Mg3Zn | data_[Mg3Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3544]
_cell_length_b [4.3544]
_cell_length_c [4.3544]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8189 | LiReO3 | data_[Li6Re6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.1404]
_cell_length_b [5.1404]
_cell_length_c [13.6304]
_cel... |
mp-1216951 | U(Fe5Mo)2 | data_[U2Fe20Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6635]
_cell_length_b [8.5364]
_cell_length_c [8.6472]
_cel... |
mp-20167 | V2FeO4 | data_[V16Fe8O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6313]
_cell_length_b [8.6313]
_cell_length_c [8.6313]
_cel... |
mp-1184983 | Li2CdBi | data_[Li8Cd4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9535]
_cell_length_b [6.9535]
_cell_length_c [6.9535]
_c... |
mp-1356 | Sb2Pd | data_[Sb8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.5647]
_cell_length_b [6.5647]
_cell_length_c [6.5647]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1220640 | Nd2UTe5 | data_[Nd4U2Te10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4070]
_cell_length_b [4.4212]
_cell_length_c [26.8913]
_ce... |
mp-1213266 | Gd12Co6Pb | data_[Gd24Co12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.8345]
_cell_length_b [9.8345]
_cell_length_c [9.8345]
_... |
mp-1188074 | Zn3In | data_[Zn12In4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1320]
_cell_length_b [13.0271]
_cell_length_c [4.5318]
_cell_angle_alpha [90.0000]
_cell... |
mp-3534 | Ge2Sb2Te5 | data_[Ge2Sb2Te5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2648]
_cell_length_b [4.2648]
_cell_length_c [17.9991]
_... |
mp-1079670 | TmSb(PbO3)2 | data_[Tm2Sb2Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
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 [10.1428]
_cell_length_b [5.8... |
mp-1224829 | Ga2Co6C | data_[Ga2Co6C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7170]
_cell_length_b [3.7170]
_cell_length_c [7.1029]
_ce... |
mp-772295 | TmClO | data_[Tm6Cl6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7555]
_cell_length_b [3.7555]
_cell_length_c [28.3023]
_cel... |
mp-1226460 | Co3PW2 | data_[Co6P2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7608]
_cell_length_b [4.7608]
_cell_length_c [7.3169]
_ce... |
mp-22425 | Sc2FeB2Ir5 | data_[Sc4Fe2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3805]
_cell_length_b [9.... |
mp-867776 | LiDy2Os | data_[Li4Dy8Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9228]
_cell_length_b [6.9228]
_cell_length_c [6.9228]
_c... |
mp-1205734 | YRe2SiC | data_[Y4Re8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9593]
_cell_length_b [10.9191... |
mp-760942 | Na2CrO4 | data_[Na4Cr2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5638]
_cell_length_b [5.7646]
_cell_length_c [8.8133]
_cell_... |
mp-570899 | YbNi2Sn | data_[Yb4Ni8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3705]
_cell_length_b [6.3705]
_cell_length_c [6.3705]
_c... |
mp-1079921 | HoNiGe3 | data_[Ho4Ni4Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1029]
_cell_length_b [21.5638]
_cell_length_c [4.0902]
_... |
mp-1186537 | Pm3Sc | data_[Pm6Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0444]
_cell_length_b [5.0444]
_cell_length_c [10.0727]
_cell_angle_alpha [90.0000]
_cel... |
mp-23562 | KIO4 | data_[K4I4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.8572]
_cell_length_b [5.8572]
_cell_length_c [12.9097]
_cell... |
mp-1224180 | InGaCu2(TeSe)2 | data_[In2Ga2Cu4Te4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_... |
mp-976281 | Li3Pd | data_[Li6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9615]
_cell_length_b [3.9615]
_cell_length_c [7.5770]
_cell_angle_alpha [90.0000]
_cell... |
mp-510315 | Ce(GeIr)2 | data_[Ce2Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2631]
_cell_length_b [4.2631]
_cell_length_c [10.2156]
... |
mp-2016 | PrNi2 | data_[Pr8Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3431]
_cell_length_b [7.3431]
_cell_length_c [7.3431]
_cell_angle_alpha [90.0000]
_cell... |
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