Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-558227 | K2RbMn2F7 | data_[K4Rb2Mn4F14]
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 [I4/mmm]
_cell_length_a [4.2835]
_cell_length_b [4.28... |
mp-559051 | BaBiO3 | data_[Ba4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2800]
_cell_length_b [6.2440]
_cell_length_c [10.7945]
_... |
mp-26181 | LiFeP2O7 | data_[Li2Fe2P4O14]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6073]
_cell_length_b [8.2224]
... |
mp-1216160 | Y4Zr3O12 | data_[Y4Zr3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3938]
_cell_length_b [6.4342]
_cell_length_c [6.6082]
_cell_a... |
mp-779517 | Sr3Hf2O7 | data_[Sr6Hf4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1318]
_cell_length_b [4.1318]
_cell_length_c [21.0328]
_... |
mp-1224226 | HoIn7Cu5 | data_[Ho2In14Cu10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6159]
_cell_length_b [9.4099]
_cell_length_c [9.4077]
_... |
mp-1216623 | TlSbWO6 | data_[Tl4Sb4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.3122]
_cell_length_b [10.464... |
mp-553278 | Nd4Se3O4 | data_[Nd8Se6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5024]
_cell_length_b [4.0327]
_cell_length_c [13.0416]
_cel... |
mp-1210610 | MgZn7O8 | data_[Mg1Zn7O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.5871]
_cell_length_b [6.5871]
_cell_length_c [5.2870]
_cell... |
mp-559 | YPd3 | data_[Y1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1401]
_cell_length_b [4.1401]
_cell_length_c [4.1401]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-6333 | NaIn(SiO3)2 | data_[Na4In4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0749]
_cell_length_b [9.2... |
mp-1069383 | Eu(ZnP)2 | data_[Eu1Zn2P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1138]
_cell_length_b [4.1138]
_cell_length_c [6.8624]
_cel... |
mp-30911 | TbCoSn2 | data_[Tb4Co4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3771]
_cell_length_b [18.3382]
_cell_length_c [4.4609]
_c... |
mp-23202 | InI | data_[In4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8588]
_cell_length_b [12.9991]
_cell_length_c [4.9524]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1225169 | Ga2FeNi9 | data_[Ga2Fe1Ni9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5490]
_cell_length_b [3.5490]
_cell_length_c [10.6169]
... |
mp-863664 | Pm2CuGe | data_[Pm8Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2156]
_cell_length_b [7.2156]
_cell_length_c [7.2156]
_c... |
mp-753331 | LiNi2O2F | data_[Li2Ni4O4F2]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.9600]
_cell_length_b [2.960... |
mp-650513 | Ca3(InAs2)2 | data_[Ca6In4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.8758]
_cell_length_b [16.7800]
_cell_length_c [4.4610]
_c... |
mp-2097 | SnO | data_[Sn2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8706]
_cell_length_b [3.8706]
_cell_length_c [5.0252]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1223224 | La(SiPt)2 | data_[La2Si4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3448]
_cell_length_b [4.3448]
_cell_length_c [10.0583]
... |
mp-1217253 | Ti10CrSb5 | data_[Ti20Cr2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [10.5194]
_cell_length_b [10.5194]
_cell_length_c [5.2543]... |
mp-1179962 | Pu | data_[Pu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3545]
_cell_length_b [3.6041]
_cell_length_c [6.8974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2291]
_cell_ang... |
mp-862829 | PaTe2Au | data_[Pa4Te8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4248]
_cell_length_b [7.4248]
_cell_length_c [7.4248]
_c... |
mp-19078 | Ba2SrWO6 | data_[Ba6Sr3W3O18]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2177]
_cell_length_b [6.2177]... |
mp-510409 | TiSiNi | data_[Ti4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1470]
_cell_length_b [3.6572]
_cell_length_c [7.0154]
_ce... |
mp-1226494 | CePaO4 | data_[Ce1Pa1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8576]
_cell_length_b [3.8576]
_cell_length_c [5.5286]
_ce... |
mp-1205758 | Ba2EuMoO6 | data_[Ba8Eu4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6493]
_cell_length_b [8.6... |
mp-865908 | Yb2HgPb | data_[Yb8Hg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6587]
_cell_length_b [7.6587]
_cell_length_c [7.6587]
_c... |
mp-10464 | CaF2 | data_[Ca4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0135]
_cell_length_b [3.6428]
_cell_length_c [7.0807]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-616512 | Y3Co2 | data_[Y12Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.4237]
_cell_length_b [12.2255]
_cell_length_c [3.9669]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-22790 | VGaCo2 | data_[V4Ga4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7551]
_cell_length_b [5.7551]
_cell_length_c [5.7551]
_cel... |
mp-1220382 | Nb5(SeS)2 | data_[Nb10Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7992]
_cell_length_b [3.3776]
_cell_length_c [9.7279]
_ce... |
mp-7436 | KCuTe | data_[K2Cu2Te2]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4726]
_cell_length_b [4.4726]
_cell_length_c [10.1576]
... |
mp-1225989 | DyMn4(CrGe3)2 | data_[Dy2Mn8Cr4Ge12]
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
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.1282]
_cell_length_b [8.... |
mp-8949 | NdAsPd | data_[Nd2As2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3883]
_cell_length_b [4.3883]
_cell_length_c [7.8491]... |
mp-542640 | GePt | data_[Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8720]
_cell_length_b [3.7304]
_cell_length_c [6.1854]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1246750 | NaGeN | data_[Na2Ge2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.1053]
_cell_length_b [3.1053]
_cell_length_c [10.5219]
_c... |
mp-1186587 | PmHo3 | data_[Pm1Ho3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0258]
_cell_length_b [5.0258]
_cell_length_c [5.0258]
_cell_angle_alpha [90.0000]
_cell_... |
mp-974253 | HoErZn2 | data_[Ho4Er4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0869]
_cell_length_b [7.0869]
_cell_length_c [7.0869]
_c... |
mp-849316 | 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 [4.7192]
_cell_length_b [5.6947]
_cell_length_c [7.9053]
_cell_a... |
mp-1222311 | LiGeSbTe3 | data_[Li1Ge1Sb1Te3]
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
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2912]
_cell_length_b [4.2... |
mp-1220274 | Nd2Y | data_[Nd6Y3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6474]
_cell_length_b [3.6474]
_cell_length_c [26.9088]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-756423 | Li2Co3BiO8 | data_[Li6Co9Bi3O24]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7957]
_cell_length_b [5.79... |
mp-1187238 | TaMn2Ga | data_[Ta4Mn8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9976]
_cell_length_b [5.9976]
_cell_length_c [5.9976]
_c... |
mp-1188303 | Sn4Rh | data_[Sn32Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4_1/acd]
_cell_length_a [6.4028]
_cell_length_b [6.4028]
_cell_length_c [23.4169]
_cell_angle_alpha [90.0000]
_... |
mp-1221396 | Na(NbSe2)2 | data_[Na1Nb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5474]
_cell_length_b [3.5474]
_cell_length_c [15.2427]
_c... |
mp-8790 | Ba2CuO3 | data_[Ba4Cu2O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8542]
_cell_length_b [4.1736]
_cell_length_c [13.1815]
_cel... |
mp-568841 | Np3Te4 | data_[Np12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.3210]
_cell_length_b [9.3210]
_cell_length_c [9.3210]
_cell_angle_alpha [90.0000]
_cel... |
mp-759283 | FeOF | data_[Fe4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7511]
_cell_length_b [3.1224]
_cell_length_c [9.4372]
_cell_ang... |
mp-1188309 | Tb6CoBr10 | data_[Tb6Co1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3940]
_cell_length_b [9.1524]
_cell_length_c [9.2394]
_ce... |
mp-1208987 | Sc2MnB2Ir5 | data_[Sc4Mn2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.8775
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 [9.4253]
_cell_length_b [9.... |
mp-1217973 | SrPrVO4 | data_[Sr2Pr2V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9125]
_cell_length_b [3.9125]... |
mp-1019266 | SmTe2 | data_[Sm2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4877]
_cell_length_b [4.4877]
_cell_length_c [9.0509]
_cell_angle_alpha [90.0000]
_cell... |
mp-30062 | Cs2PtBr6 | data_[Cs8Pt4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0489]
_cell_length_b [11.0489]
_cell_length_c [11.0489... |
mp-1226785 | Ce2NiRu3 | data_[Ce6Ni3Ru9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3419]
_cell_length_b [5.3419]
_cell_length_c [12.6586]
_c... |
mp-753928 | LiV2O2F3 | data_[Li4V8O8F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [Cc]
_cell_length_a [10.7085]
_cell_length_b [5.1439]
_... |
mp-556010 | LuMoClO4 | data_[Lu2Mo2Cl2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [P-1]
_cell_length_a [5.9400]
_cell_length_b [6.5007... |
mp-1289770 | LiV3O4 | data_[Li4V12O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0393]
_cell_length_b [8.6644]
_cell_length_c [6.0960]
_cell... |
mp-1229084 | AgW2(Br3O)2 | data_[Ag2W4Br12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4940]
_cell_length_b [3.8693]... |
mp-1103213 | SbTeOs | data_[Sb4Te4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6955]
_cell_length_b [6.5965]
_cell_length_c [6.7751]
_... |
mp-862984 | PmB3 | data_[Pm2B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5811]
_cell_length_b [5.5811]
_cell_length_c [3.4415]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205371 | Ba3InS4Cl | data_[Ba12In4S16Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.4772]
_cell_length_b [8... |
mp-20704 | U(MnAl2)4 | data_[U2Mn8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7772]
_cell_length_b [8.7772]
_cell_length_c [5.1125]
_c... |
mp-6599 | KNb(CuSe2)2 | data_[K4Nb4Cu8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [7.7936]
_cell_length_b [19.2... |
mp-1205336 | BaMnO3 | data_[Ba2Mn2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.8039]
_cell_length_b [5.8039]
_cell_length_c [4.9321]
_ce... |
mp-754663 | Na2Be2O3 | data_[Na4Be4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.9431]
_cell_length_b [5.3124]
_cell_length_c [5.3606]
_ce... |
mp-981103 | Sr3CdO4 | data_[Sr3Cd1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1097]
_cell_length_b [5.1097]
_cell_length_c [5.1097]
_cel... |
mp-23294 | RuBr3 | data_[Ru4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9260]
_cell_length_b [12.4130]
_cell_length_c [7.1417]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184265 | GaRh3 | data_[Ga2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8937]
_cell_length_b [3.8937]
_cell_length_c [7.5466]
_cell_angle_alpha [90.0000]
_cell... |
mp-1189061 | Y3MnAu5 | data_[Y18Mn6Au30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.5774]
_cell_length_b [8.5774]
_cell_length_c [18.3129]
_ce... |
mp-1029385 | Li2SnN2 | data_[Li2Sn1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2962]
_cell_length_b [3.2962]
_cell_length_c [5.5058]
_cel... |
mp-1207777 | Y3Pd | data_[Y12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0885]
_cell_length_b [9.7309]
_cell_length_c [6.5280]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-867477 | Eu2SnHg | data_[Eu8Sn4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9078]
_cell_length_b [7.9078]
_cell_length_c [7.9078]
_c... |
mp-31176 | HoNiSn | data_[Ho4Ni4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0267]
_cell_length_b [4.5060]
_cell_length_c [7.5836]
_ce... |
mp-556741 | KNaThF6 | data_[K2Na2Th2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Th 1.3000 1.8000 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.3814]
_cell_length_b [6.3814]... |
mp-570262 | Cs3ZnCl5 | data_[Cs12Zn4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.4132]
_cell_length_b [9.4132]
_cell_length_c [14.7629... |
mp-1217586 | TbCuSi | data_[Tb1Cu1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0737]
_cell_length_b [4.0737]
_cell_length_c [3.9771]
_c... |
mp-6879 | Ba2CaCu2HgO6 | data_[Ba2Ca1Cu2Hg1O6]
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
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-754567 | NaCdO2 | data_[Na3Cd3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3577]
_cell_length_b [3.3577]
_cell_length_c [16.5476]
_cel... |
mp-1186586 | PmHoRu2 | data_[Pm4Ho4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8783]
_cell_length_b [6.8783]
_cell_length_c [6.8783]
_c... |
mp-984724 | Ba2TlZn | data_[Ba8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4472]
_cell_length_b [8.4472]
_cell_length_c [8.4472]
_c... |
mp-3015 | HoInCu | data_[Ho3In3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4261]
_cell_length_b [7.4261]
_cell_length_c [3.9585]
_c... |
mp-22854 | Pr2I5 | data_[Pr4I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4170]
_cell_length_b [4.3648]
_cell_length_c [15.0030]
_cell_angle_alpha [90.0000]
_cell... |
mp-1226804 | Ce3GeS2 | data_[Ce6Ge2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1213]
_cell_length_b [5.8088]
_cell_length_c [12.3094]
_cel... |
mp-2646 | Mg3Sb2 | data_[Mg3Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6007]
_cell_length_b [4.6007]
_cell_length_c [7.2813]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3744 | NaNbO2 | data_[Na2Nb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9939]
_cell_length_b [2.9939]
_cell_length_c [11.6857]
... |
mp-1215553 | YbAlCu5 | data_[Yb2Al2Cu10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.3511]
_cell_length_b [6.3511]
_cell_length_c [4.8849]
_... |
mp-1232092 | Sm2MgS4 | data_[Sm8Mg4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.2762]
_cell_length_b [8.2762]
_cell_length_c [8.6937]
_ce... |
mp-9816 | GeF4 | data_[Ge2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [5.6589]
_cell_length_b [5.6589]
_cell_length_c [5.6589]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1187521 | YbYCd2 | data_[Yb4Y4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5384]
_cell_length_b [7.5384]
_cell_length_c [7.5384]
_cel... |
mp-1025297 | SmC6 | data_[Sm1C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3304]
_cell_length_b [4.3304]
_cell_length_c [4.6735]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20824 | Sr2CaTlCu2O7 | data_[Sr2Ca1Tl1Cu2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
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 [P4/mmm]
_cell_lengt... |
mp-17760 | ErGe2Pt | data_[Er8Ge16Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3186]
_cell_length_b [8.7536]
_cell_length_c [16.4788]
_... |
mp-1216777 | U2As3Se | data_[U2As3Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9787]
_cell_length_b [3.9787]
_cell_length_c [8.1715]
_cell... |
mp-867846 | TaTiRe2 | data_[Ta4Ti4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3346]
_cell_length_b [6.3346]
_cell_length_c [6.3346]
_c... |
mp-1105175 | LaCrTeO6 | data_[La2Cr2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2497]
_cell_length_b [5.2... |
mp-1434 | MoS2 | data_[Mo3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1906]
_cell_length_b [3.1906]
_cell_length_c [21.3182]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1227574 | Ca4Cd3Au5 | data_[Ca4Cd3Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.4221]
_cell_length_b [4.3823]
_cell_length_c [8.8348]
_cell... |
mp-1187259 | SrEu | data_[Sr1Eu1]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1068]
_cell_length_b [4.1068]
_cell_length_c [6.7981]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865214 | Lu2TcAg | data_[Lu8Tc4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8979]
_cell_length_b [6.8979]
_cell_length_c [6.8979]
_c... |
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