Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-766045 | PWO5 | data_[P2W2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3864]
_cell_length_b [5.4083]
_cell_length_c [7.4176]
_cell_ang... |
mp-10497 | SrC2 | data_[Sr4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0874]
_cell_length_b [4.4301]
_cell_length_c [7.8990]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-865483 | Li2GdIn | data_[Li8Gd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8874]
_cell_length_b [6.8874]
_cell_length_c [6.8874]
_c... |
mp-17174 | K3(Cu4S3)2 | data_[K6Cu16S12]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3349]
_cell_length_b [3.8560]
_cell_length_c [9.8706]
_cel... |
mp-21175 | TaGaNi2 | data_[Ta4Ga4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9752]
_cell_length_b [5.9752]
_cell_length_c [5.9752]
_c... |
mp-1239189 | TaCr3(AgS4)2 | data_[Ta1Cr3Ag2S8]
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
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9932]
_cell_length_b [7.011... |
mp-1018806 | MoSeS | data_[Mo4Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Amm2]
_cell_length_a [19.4909]
_cell_length_b [3.2559]
_cell_length_c [5.6404]
_cel... |
mp-8658 | CsNaSe | data_[Cs2Na2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [5.0383]
_cell_length_b [5.0383]
_cell_length_c [8.2297]
_... |
mp-1519864 | BaSrInSbO6 | data_[Ba4Sr4In4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-27731 | HfH2 | data_[Hf2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5009]
_cell_length_b [3.5009]
_cell_length_c [4.2659]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-862656 | ErAl3 | data_[Er15Al45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0609]
_cell_length_b [6.0609]
_cell_length_c [35.9328]
_cell_angle_alpha [90.0000]
_cel... |
mp-1184091 | Er2CuAu | data_[Er8Cu4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0090]
_cell_length_b [7.0090]
_cell_length_c [7.0090]
_c... |
mp-1076438 | La2Co2O5 | data_[La8Co8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.7924]
_cell_length_b [5.8128]
_cell_length_c [5.4794]
_ce... |
mp-1247752 | Cr3SnS8 | data_[Cr9Sn3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.7439]
_cell_length_b [6.7439]
_cell_length_c [18.4026]
_ce... |
mp-1216008 | YFe11Mo | data_[Y2Fe22Mo2]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6940]
_cell_length_b [8.4728]
_cell_length_c [8.5220]
_cel... |
mp-1209854 | Nd2Sn5 | data_[Nd8Sn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6551]
_cell_length_b [35.4900]
_cell_length_c [4.6841]
_cell_angle_alpha [90.0000]
_cell... |
mp-862869 | Pa2S3 | data_[Pa12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.8222]
_cell_length_b [6.8222]
_cell_length_c [18.7059]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1211323 | La2Si3Rh | data_[La4Si6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.3474]
_cell_length_b [8.3474]
_cell_length_c [4.3166]
_... |
mp-22048 | Pt2PbO4 | data_[Pt4Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7433]
_cell_length_b [6.2280]
_cell_length_c [6.7710]
_cell_... |
mp-1183271 | Ac3Eu | data_[Ac6Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.1556]
_cell_length_b [8.1556]
_cell_length_c [6.5536]
_cell_angle_alpha [90.0000]
_ce... |
mp-1216258 | Y2Fe17C | data_[Y4Fe34C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6317]
_cell_length_b [8.5916]
_cell_length_c [6.4325]
_cell_... |
mp-862824 | PaInPt2 | data_[Pa4In4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8900]
_cell_length_b [6.8900]
_cell_length_c [6.8900]
_c... |
mp-9595 | NbInO4 | data_[Nb2In2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.9208]
_cell_length_b [5.8969]
_cell_length_c [5.2235]
_cell... |
mp-1097885 | LiCoO2 | data_[Li12Co12O24]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8290]
_cell_length_b [5.8290]
_cell_length_c [14.2017]
_... |
mp-1029448 | Li5OsN4 | data_[Li10Os2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.6303]
_cell_length_b [6.7249]
_cell_length_c [4.9718]
_cel... |
mp-1114525 | Rb2InSbCl6 | data_[Rb8In4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2581]
_cell_length_b [... |
mp-1221887 | Mn2CdO3 | data_[Mn4Cd2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2367]
_cell_length_b [4.6195]
_cell_length_c [9.7813]
_cell... |
mp-862940 | Er2CuPt | data_[Er8Cu4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9027]
_cell_length_b [6.9027]
_cell_length_c [6.9027]
_c... |
mp-1214813 | Ba2LuReO6 | data_[Ba4Lu2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Lu 1.2700 1.7500 1.0010
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2591]
_cell_length_b [5.9... |
mp-16523 | Al3Pd5 | data_[Al6Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.4461]
_cell_length_b [10.6500]
_cell_length_c [4.0749]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218170 | SrLaTlCuO5 | data_[Sr1La1Tl1Cu1O5]
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
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
mp-1184343 | Fe2NiB | data_[Fe16Ni8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5114]
_cell_length_b [8.5114]
_cell_length_c [4.1998]
_cell... |
mp-30838 | ThPd | data_[Th4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2896]
_cell_length_b [4.5896]
_cell_length_c [5.8979]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-755798 | ZrPbO3 | data_[Zr4Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9274]
_cell_length_b [8.3543]
_cell_length_c [5.8893]
_cel... |
mp-1190071 | Er6GaCo2 | data_[Er24Ga4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.2190]
_cell_length_b [9.4211]
_cell_length_c [9.8636]
_c... |
mp-1018033 | AgRhO2 | data_[Ag3Rh3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1184]
_cell_length_b [3.1184]
_cell_length_c [18.9994]
_cel... |
mp-756519 | Li(ReO3)4 | data_[Li2Re8O24]
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 [Immm]
_cell_length_a [7.4686]
_cell_length_b [7.4920]
_cell_length_c [7.5443]
_cel... |
mp-9544 | Er2C3 | data_[Er16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.1431]
_cell_length_b [8.1431]
_cell_length_c [8.1431]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218378 | Sr4BrN2Cl | data_[Sr4Br1N2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8199]
_cell_length_b [3.938... |
mp-1094472 | MgZr3 | data_[Mg2Zr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4537]
_cell_length_b [4.4537]
_cell_length_c [9.0958]
_cell_angle_alpha [90.0000]
_cell... |
mp-650 | Be5Pd | data_[Be20Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9926]
_cell_length_b [5.9926]
_cell_length_c [5.9926]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079103 | LaCuSb2 | data_[La2Cu2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3886]
_cell_length_b [4.3886]
_cell_length_c [10.3410]
... |
mp-1225818 | DyGaFeCo3 | data_[Dy1Ga1Fe1Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9179]
_cell_length_b [4.0... |
mp-1212821 | Er4Ga12Pt | data_[Er8Ga24Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6126]
_cell_length_b [8.6126]
_cell_length_c [8.6126]
_... |
mp-635426 | GdAu | data_[Gd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6509]
_cell_length_b [3.6509]
_cell_length_c [3.6509]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865753 | YbErPd2 | data_[Yb4Er4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9348]
_cell_length_b [6.9348]
_cell_length_c [6.9348]
_c... |
mp-1208316 | TbGePd2 | data_[Tb4Ge4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4648]
_cell_length_b [7.1198]
_cell_length_c [5.6352]
_ce... |
mp-3807 | Al2CdSe4 | data_[Al16Cd8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.9705]
_cell_length_b [10.9705]
_cell_length_c [10.970... |
mp-754286 | Co3OF5 | data_[Co6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P-1]
_cell_length_a [5.6727]
_cell_length_b [5.7086]
_cell_length_c [7.5211]
_cell_a... |
mp-1017567 | Hf2SN2 | data_[Hf2S1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5900]
_cell_length_b [3.5900]
_cell_length_c [6.4249]
_cell_... |
mp-616481 | NbFeTe2 | data_[Nb4Fe4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [8.1242]
_cell_length_b [7.5280]
_cell_length_c [6.3267]
_ce... |
mp-8972 | K2TaCuSe4 | data_[K16Ta8Cu8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7735]
_cell_length_b [13.... |
mp-1212407 | HfBi | data_[Hf12Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8439]
_cell_length_b [10.8787]
_cell_length_c [14.3520]
_cell_angle_alpha [90.0000]
_ce... |
mp-9586 | NbSnS2 | data_[Nb2Sn2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3574]
_cell_length_b [3.3574]
_cell_length_c [17.5830]
... |
mp-1223512 | KMg3AlSi3(O5F)2 | data_[K1Mg3Al1Si3O10F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_... |
mp-615682 | Ba2LaTa(CuO4)2 | data_[Ba2La1Ta1Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-976955 | Li2RuF6 | data_[Li4Ru2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7189]
_cell_length_b [4.7189]
_cell_length_c [9.2971]
... |
mp-1521910 | SrEuNbVO6 | data_[Sr4Eu4Nb4V4O24]
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
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-6528 | Cs2NaAlF6 | data_[Cs12Na6Al6F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2769]
_cell_length_b [6.2... |
mp-14447 | Ba2SiSe4 | data_[Ba4Si2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0703]
_cell_length_b [7.1257]
_cell_length_c [9.3041]
_... |
mp-761288 | MnBO3 | data_[Mn6B6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.6969]
_cell_length_b [4.6969]
_cell_length_c [14.9225]
_cell... |
mp-1077033 | YbSe2 | data_[Yb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9930]
_cell_length_b [3.9930]
_cell_length_c [8.8232]
_cell_angle_alpha [90.0000]
_cell... |
mp-568021 | Er3AlC | data_[Er3Al1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8290]
_cell_length_b [4.8290]
_cell_length_c [4.8290]
_cel... |
mp-976330 | LiZr2Ir | data_[Li4Zr8Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6172]
_cell_length_b [6.6172]
_cell_length_c [6.6172]
_c... |
mp-27775 | U(BiO3)2 | data_[U1Bi2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9266]
_cell_length_b [3.9266]
_cell_length_c [9.5576]
_cell_... |
mp-556239 | Cs5Nb2S4Br9 | data_[Cs10Nb4S8Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.7173]
_cell_length_b [11.... |
mp-1024990 | LuB2Ir3 | data_[Lu1B2Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4403]
_cell_length_b [5.4403]
_cell_length_c [3.1453]
_ce... |
mp-1220488 | Nb6BiTe8 | data_[Nb6Bi1Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.8149]
_cell_length_b [10.8149]
_cell_length_c [3.6275]
_c... |
mp-1094425 | Mg5Zn | data_[Mg15Zn3]
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 [R32]
_cell_length_a [5.2580]
_cell_length_b [5.2580]
_cell_length_c [16.2153]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753923 | Cs3HoO3 | data_[Cs12Ho4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0856]
_cell_length_b [12.9072]
_cell_length_c [7.6188]
_c... |
mp-1097 | TaB | data_[Ta4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2945]
_cell_length_b [8.7179]
_cell_length_c [3.1719]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1183232 | AlNi3 | data_[Al2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0594]
_cell_length_b [5.0594]
_cell_length_c [4.0602]
_cell_angle_alpha [90.0000]
_ce... |
mp-1080162 | Te2Mo3W(SeS2)2 | data_[Te2Mo3W1Se2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a ... |
mp-980938 | Tb3Al2 | data_[Tb12Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.2812]
_cell_length_b [8.2812]
_cell_length_c [7.6076]
_cell_angle_alpha [90.0000]
_c... |
mp-1095508 | Er5S7 | data_[Er10S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7098]
_cell_length_b [3.7731]
_cell_length_c [11.5249]
_cell_angle_alpha [90.0000]
_cell... |
mp-7332 | NdP5 | data_[Nd2P10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0546]
_cell_length_b [9.5985]
_cell_length_c [5.4699]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1802 | NbS2 | data_[Nb3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3803]
_cell_length_b [3.3803]
_cell_length_c [20.0210]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1219591 | RbCoNiF6 | data_[Rb4Co4Ni4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3018]
_cell_length_b [7.37... |
mp-1239197 | TaCr3(AgS4)2 | data_[Ta1Cr3Ag2S8]
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
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0168]
_cell_length_b [6.967... |
mp-11705 | Dy2Fe2Si2C | data_[Dy4Fe4Si4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5470]
_cell_length_b [3.92... |
mp-22440 | LuSiIr | data_[Lu4Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7112]
_cell_length_b [4.1751]
_cell_length_c [7.4234]
_ce... |
mp-510548 | Y4Ga12Pt | data_[Y8Ga24Pt2]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6651]
_cell_length_b [8.6651]
_cell_length_c [8.6651]
_ce... |
mp-1188992 | Sm5Ge3 | data_[Sm10Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.7467]
_cell_length_b [8.7467]
_cell_length_c [6.6094]
_cell_angle_alpha [90.0000]
_c... |
mp-569302 | Gd(SiRu)2 | data_[Gd2Si4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1962]
_cell_length_b [4.1962]
_cell_length_c [9.6459]
_... |
mp-1102395 | SbRuSe | data_[Sb4Ru4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4334]
_cell_length_b [6.3690]
_cell_length_c [6.4725]
_... |
mp-1226540 | CeUB8 | data_[Ce4U4B32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.9912]
_cell_length_b [10.1140]
_cell_length_c [4.0107]
_cell... |
mp-865011 | Mn2NbAl | data_[Mn8Nb4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0179]
_cell_length_b [6.0179]
_cell_length_c [6.0179]
_c... |
mp-977557 | NdCdPd2 | data_[Nd4Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9417]
_cell_length_b [6.9417]
_cell_length_c [6.9417]
_c... |
mp-1187606 | TmLuCu2 | data_[Tm4Lu4Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8022]
_cell_length_b [6.8022]
_cell_length_c [6.8022]
_c... |
mp-754228 | Li4Ni3SbO8 | data_[Li12Ni9Sb3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9821]
_cell_length_b [5.9... |
mp-850979 | V3(O2F)2 | data_[V12O16F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [6.9186]
_cell_length_b [6.4242]
_cell_length_c [9.1412]
_cell_a... |
mp-1214615 | Ba2Sm2Ti2Cu2O11 | data_[Ba2Sm2Ti2Cu2O11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_leng... |
mp-1113449 | Rb2TlAuBr6 | data_[Rb8Tl4Au4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2613]
_cell_length_b [... |
mp-1188606 | La5Pb3S | data_[La10Pb6S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6867]
_cell_length_b [9.6867]
_cell_length_c [7.1475]
... |
mp-1187430 | Ti2IrRu | data_[Ti8Ir4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2020]
_cell_length_b [6.2020]
_cell_length_c [6.2020]
_c... |
mp-568572 | WSe6ICl6 | data_[W1Se6I1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
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 [6.9050]
_cell_length_b [7.8155]
... |
mp-2203 | YB6 | data_[Y1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1021]
_cell_length_b [4.1021]
_cell_length_c [4.1021]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1217527 | TbGa3Ni | data_[Tb2Ga6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0522]
_cell_length_b [4.0522]
_cell_length_c [10.6851]
_... |
mp-1018693 | Eu2H3Cl | data_[Eu2H3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0260]
_cell_length_b [4.0260]
_cell_length_c [6.8454]
_cel... |
mp-865103 | DyGa3 | data_[Dy2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2693]
_cell_length_b [6.2693]
_cell_length_c [4.5811]
_cell_angle_alpha [90.0000]
_ce... |
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