Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-754688 | Li4Co3OF11 | data_[Li4Co3O1F11]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7496]
_cell_length_b [5.9072]
... |
mp-1232290 | Cu3SbF12 | data_[Cu6Sb2F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.8490]
_cell_length_b [7.8490]
_cell_length_c [7.8490]
_ce... |
mp-21228 | SrCuSeF | data_[Sr2Cu2Se2F2]
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
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 [4.0938]
_cell_length_b [4.0... |
mp-1223322 | KRbMnF6 | data_[K4Rb4Mn4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5441]
_cell_length_b [8.544... |
mp-9640 | SrCu(SeO3)2 | data_[Sr4Cu4Se8O24]
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
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1631]
_cell_length_b [5.22... |
mp-1080061 | Dy(SiPt)2 | data_[Dy2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1874]
_cell_length_b [4.1874]
_cell_length_c [9.8794]
_... |
mp-1303642 | Sr3NbCoO7 | data_[Sr6Nb2Co2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [21.7766]
_cell_length_b [3.998... |
mp-16495 | AlCrFe2 | data_[Al4Cr4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6695]
_cell_length_b [5.6695]
_cell_length_c [5.6695]
_c... |
mp-23536 | SbI3Cl8 | data_[Sb1I3Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5772]
_cell_length_b [7.8347]
_cell_length_c [8.1252]
_cell_... |
mp-1229166 | Cs(NpSe3)2 | data_[Cs2Np4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1259]
_cell_length_b [5.4928]
_cell_length_c [23.9209]
_... |
mp-11519 | NiSnRh2 | data_[Ni4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2034]
_cell_length_b [6.2034]
_cell_length_c [6.2034]
_c... |
mp-550274 | Sr2CoWO6 | data_[Sr8Co4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
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 [8.0460]
_cell_length_b [8.046... |
mp-996998 | HAuO2 | data_[H2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1535]
_cell_length_b [4.7207]
_cell_length_c [5.4929]
_cell_an... |
mp-644223 | LiBH4 | data_[Li2B2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.1800]
_cell_length_b [4.1800]
_cell_length_c [6.7099]
_cell... |
mp-999291 | PrPd | data_[Pr4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9075]
_cell_length_b [11.0098]
_cell_length_c [4.6950]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1518167 | BaCaSmSbO6 | data_[Ba2Ca2Sm2Sb2O12]
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
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 [P-1]
_cell_length_... |
mp-30502 | TmCd3 | data_[Tm4Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.2002]
_cell_length_b [10.7608]
_cell_length_c [4.8582]
_cell_angle_alpha [90.0000]
_cell... |
mp-20420 | KGdTe2 | data_[K3Gd3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Gd 1.2000 1.8000 1.0750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5385]
_cell_length_b [4.5385]
_cell_length_c [24.6471]
_cel... |
mp-1112453 | K2AgPdF6 | data_[K8Ag4Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
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 [8.7627]
_cell_length_b [8.762... |
mp-20472 | LaRuO3 | data_[La4Ru4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9131]
_cell_length_b [7.9246]
_cell_length_c [5.4765]
_cel... |
mp-1077552 | TbNi4Au | data_[Tb4Ni16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9904]
_cell_length_b [6.9904]
_cell_length_c [6.9904]
_... |
mp-1080559 | In(GaAu)2 | data_[In2Ga4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3156]
_cell_length_b [4.3156]
_cell_length_c [13.1901... |
mp-5955 | NaSbF6 | data_[Na4Sb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4696]
_cell_length_b [8.4696]
_cell_length_c [8.4696]
_ce... |
mp-569516 | HfNi5 | data_[Hf4Ni20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6610]
_cell_length_b [6.6610]
_cell_length_c [6.6610]
_cell_angle_alpha [90.0000]
_cell... |
mp-777382 | Ni3OF5 | data_[Ni6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6058]
_cell_length_b [5.6188]
_cell_length_c [7.3701]
_cell_a... |
mp-1105367 | KB2SbO6 | data_[K4B8Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
B 2.0400 0.8500 0.4100
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.7875]
_cell_length_b [7.1494]
_... |
mp-1042 | HfSi | data_[Hf4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9133]
_cell_length_b [3.7847]
_cell_length_c [5.2526]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-9366 | RbHoS2 | data_[Rb3Ho3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0635]
_cell_length_b [4.0635]
_cell_length_c [23.0308]
_cel... |
mp-1209263 | RbAsO4 | data_[Rb4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6010]
_cell_length_b [7.6010]
_cell_length_c [7.7681]
_ce... |
mp-975609 | Li2TlPb | data_[Li8Tl4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0677]
_cell_length_b [7.0677]
_cell_length_c [7.0677]
_c... |
mp-675643 | Ce5AgS8 | data_[Ce10Ag2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5139]
_cell_length_b [8.5139]
_cell_length_c [8.6104]
_cel... |
mp-30457 | LuNiBi | data_[Lu4Ni4Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4019]
_cell_length_b [6.4019]
_cell_length_c [6.4019]
_c... |
mp-1187240 | Sr2InHg | data_[Sr8In4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1056]
_cell_length_b [8.1056]
_cell_length_c [8.1056]
_c... |
mp-865640 | TiGeRu2 | data_[Ti4Ge4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1360]
_cell_length_b [6.1360]
_cell_length_c [6.1360]
_c... |
mp-1225231 | Gd2VFeO6 | data_[Gd4V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [P2_1/c]
_cell_length_a [5.4226]
_cell_length_b [5.75... |
mp-867762 | DyMgAu2 | data_[Dy4Mg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9461]
_cell_length_b [6.9461]
_cell_length_c [6.9461]
_c... |
mp-753850 | Li4Mn5O9F | data_[Li8Mn10O18F2]
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 [Cm]
_cell_length_a [9.8513]
_cell_length_b [2.8974]... |
mp-866059 | GdMgRh2 | data_[Gd4Mg4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6110]
_cell_length_b [6.6110]
_cell_length_c [6.6110]
_c... |
mp-972 | MnSe | data_[Mn4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4107]
_cell_length_b [5.4107]
_cell_length_c [5.4107]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183674 | CdIn3 | data_[Cd4In12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5622]
_cell_length_b [7.5622]
_cell_length_c [7.5622]
_cell_angle_alpha [90.0000]
_cell... |
mp-975892 | PrMgAg2 | data_[Pr4Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2061]
_cell_length_b [7.2061]
_cell_length_c [7.2061]
_c... |
mp-866203 | AcYbHg2 | data_[Ac4Yb4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8584]
_cell_length_b [7.8584]
_cell_length_c [7.8584]
_c... |
mp-14105 | AlTlO2 | data_[Al8Tl8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Fd-3m]
_cell_length_a [8.0854]
_cell_length_b [8.0854]
_cell_length_c [8.0854]
_ce... |
mp-1183806 | DyLuIn2 | data_[Dy4Lu4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4506]
_cell_length_b [7.4506]
_cell_length_c [7.4506]
_c... |
mp-20935 | ZrSnIr | data_[Zr3Sn3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3759]
_cell_length_b [7.3759]
_cell_length_c [3.7499]
_c... |
mp-1077428 | NdCu4Ag | data_[Nd4Cu16Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2538]
_cell_length_b [7.2538]
_cell_length_c [7.2538]
_... |
mp-1173998 | Li3MnCoO5 | data_[Li6Mn2Co2O10]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0872]
_cell_length_b [5.127... |
mp-20756 | LaTiGe | data_[La2Ti2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1735]
_cell_length_b [4.1735]
_cell_length_c [8.0611]
_... |
mp-2402 | NaSi | data_[Na16Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1298]
_cell_length_b [6.5801]
_cell_length_c [11.0646]
_cell_angle_alpha [90.0000]
_ce... |
mp-1025446 | CeGa2Ni | data_[Ce4Ga8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1728]
_cell_length_b [17.3590]
_cell_length_c [4.1276]
_c... |
mp-542812 | GaTe | data_[Ga12Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2263]
_cell_length_b [4.1502]
_cell_length_c [10.8241]
_cell_angle_alpha [90.0000]
_ce... |
mp-30047 | Sn2Mo | data_[Sn12Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.5439]
_cell_length_b [5.5439]
_cell_length_c [14.3419]
_cell_angle_alpha [90.0000]
_ce... |
mp-980665 | Zn2CuIr | data_[Zn8Cu4Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0201]
_cell_length_b [6.0201]
_cell_length_c [6.0201]
_c... |
mp-569411 | La3ScBi5 | data_[La6Sc2Bi10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8663]
_cell_length_b [9.8663]
_cell_length_c [6.6168... |
mp-8759 | Cs2ZrO3 | data_[Cs8Zr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.4893]
_cell_length_b [7.8338]
_cell_length_c [6.0244]
_ce... |
mp-1080526 | Zr6Ga2Fe | data_[Zr6Ga2Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8857]
_cell_length_b [7.8857]
_cell_length_c [3.3581]
_c... |
mp-1119338 | Na2O | data_[Na6O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.1882]
_cell_length_b [6.1882]
_cell_length_c [3.6535]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1185786 | Mg3Tl | data_[Mg3Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5193]
_cell_length_b [4.5193]
_cell_length_c [4.5193]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1071536 | USnAu | data_[U2Sn2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1356]
_cell_length_b [5.1356]
_cell_length_c [5.8294]
_... |
mp-1099761 | Sr2Cu2O5 | data_[Sr8Cu8O20]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.9060]
_cell_length_b [5.5183]
_cell_length_c [5.5290]
_ce... |
mp-763934 | Mn3OF5 | data_[Mn12O4F20]
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 [9.4263]
_cell_length_b [7.1387]
_cell_length_c [7.5395]
_cell... |
mp-755463 | Li3SbS3 | data_[Li18Sb6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1369]
_cell_length_b [7.1369]
_cell_length_c [19.4924]
_ce... |
mp-867779 | Ta2CrFe | data_[Ta8Cr4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1486]
_cell_length_b [6.1486]
_cell_length_c [6.1486]
_c... |
mp-1176695 | LiFeF4 | data_[Li2Fe2F8]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7628]
_cell_length_b [3.0790]
_cell_length_c [5.4747]
_cel... |
mp-1518697 | SrEuZrTiO6 | data_[Sr4Eu4Zr4Ti4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-27638 | NiI2 | data_[Ni3I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9500]
_cell_length_b [3.9500]
_cell_length_c [20.6295]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1184559 | HfScTc2 | data_[Hf4Sc4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5102]
_cell_length_b [6.5102]
_cell_length_c [6.5102]
_c... |
mp-11653 | BPO4 | data_[B3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.5478]
_cell_length_b [4.5478]
_cell_length_c [10.0560]
_cell... |
mp-1184288 | Eu2ZnCd | data_[Eu8Zn4Cd4]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8049]
_cell_length_b [7.8049]
_cell_length_c [7.8049]
_c... |
mp-989522 | Mg6Bi2PN | data_[Mg24Bi8P4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3507]
_cell_length_b [9.350... |
mp-1217153 | Ti3Cu2NiS8 | data_[Ti9Cu6Ni3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9922]
_cell_length_b [6.99... |
mp-9439 | YbCuSb | data_[Yb2Cu2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4541]
_cell_length_b [4.4541]
_cell_length_c [7.9840]... |
mp-30834 | SrSn3Pd | data_[Sr2Sn6Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.8861]
_cell_length_b [4.8861]
_cell_length_c [11.3649]
_c... |
mvc-11251 | Ti2ZnS4 | data_[Ti16Zn8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.1581]
_cell_length_b [10.1581]
_cell_length_c [10.1581]... |
mp-9488 | SmOF | data_[Sm6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9273]
_cell_length_b [3.9273]
_cell_length_c [19.6168]
_cell_... |
mp-1189917 | Nd3Tl5 | data_[Nd12Tl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.5181]
_cell_length_b [8.3941]
_cell_length_c [10.6197]
_cell_angle_alpha [90.0000]
_ce... |
mp-1639 | BN | data_[B4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [3.6260]
_cell_length_b [3.6260]
_cell_length_c [3.6260]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1189528 | Ca2ScSbO6 | data_[Ca4Sc2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
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 [5.5506]
_cell_length_b [5.... |
mp-1184644 | Ho2TlIn | data_[Ho8Tl4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5440]
_cell_length_b [7.5440]
_cell_length_c [7.5440]
_c... |
mp-1153 | Li2S | data_[Li8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7214]
_cell_length_b [5.7214]
_cell_length_c [5.7214]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1180871 | KCu3(AsO5)2 | data_[K2Cu6As4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0859]
_cell_length_b [5.990... |
mp-999549 | WN2 | data_[W1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9309]
_cell_length_b [2.9309]
_cell_length_c [3.9191]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1010 | MnB4 | data_[Mn2B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9542]
_cell_length_b [4.6330]
_cell_length_c [5.3737]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-637918 | Cr3GeN | data_[Cr6Ge2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [5.3310]
_cell_length_b [5.3310]
_cell_length_c [4.0102]
_c... |
mp-12442 | KAuF6 | data_[K3Au3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8431]
_cell_length_b [7.8431]
_cell_length_c [7.4836]
_cell_... |
mp-556619 | NaLaMgWO6 | data_[Na2La2Mg2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length... |
mp-3557 | Eu(CuGe)2 | data_[Eu2Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
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 [4.1945]
_cell_length_b [4.1945]
_cell_length_c [10.2800]
... |
mp-1104331 | Li2Nd2Ge3 | data_[Li8Nd8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4365]
_cell_length_b [18.7379]
_cell_length_c [6.9475]
_... |
mp-755747 | Li2FeF4 | data_[Li8Fe4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9029]
_cell_length_b [9.6578]
_cell_length_c [9.8721]
_cel... |
mp-13985 | Li2PdF6 | data_[Li4Pd2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7447]
_cell_length_b [4.7447]
_cell_length_c [9.2558]
... |
mp-1188474 | MnIn2NiO6 | data_[Mn2In4Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2089]
_cell_length_b [5.... |
mp-12322 | RbGd2CuS4 | data_[Rb4Gd8Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0225]
_cell_length_b [13.9... |
mp-1210616 | Mn4Cu3BiO12 | data_[Mn8Cu6Bi2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4784]
_cell_length_b [7.47... |
mp-1214394 | Ce3In4Ge | data_[Ce12In16Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.3316]
_cell_length_b [8.3316]
_cell_length_c [11.5530... |
mp-862835 | PaZnPt2 | data_[Pa4Zn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7383]
_cell_length_b [6.7383]
_cell_length_c [6.7383]
_c... |
mp-753011 | LiMnPO4 | data_[Li2Mn2P2O8]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [4.9351]
_cell_length_b [4.9351]
... |
mp-1221920 | Mn2FeCoP2 | data_[Mn4Fe2Co2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5038]
_cell_length_b [6.6... |
mp-3328 | Ho2Al3Si2 | data_[Ho4Al6Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1679]
_cell_length_b [4.0220]
_cell_length_c [6.6128]
_c... |
mp-1211768 | La5CuGe3 | data_[La10Cu2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2779]
_cell_length_b [9.2779]
_cell_length_c [6.7823... |
mp-1186348 | NdGd3 | data_[Nd1Gd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1130]
_cell_length_b [5.1130]
_cell_length_c [5.1130]
_cell_angle_alpha [90.0000]
_cell_... |
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