Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1101830 | Yb3Ga8 | data_[Yb6Ga16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1956]
_cell_length_b [4.3136]
_cell_length_c [25.9461]
_cell_angle_alpha [90.0000]
_cell... |
mp-625150 | ScHO2 | data_[Sc4H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2767]
_cell_length_b [13.0313]
_cell_length_c [4.0505]
_cel... |
mp-863654 | Pm2CdSi | data_[Pm8Cd4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4182]
_cell_length_b [7.4182]
_cell_length_c [7.4182]
_c... |
mp-1094600 | LiMg2 | data_[Li4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3274]
_cell_length_b [3.2030]
_cell_length_c [7.3770]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1008224 | CrCo2Si | data_[Cr4Co8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6355]
_cell_length_b [5.6355]
_cell_length_c [5.6355]
_c... |
mp-23060 | Cs2PtI6 | data_[Cs8Pt4I24]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.7382]
_cell_length_b [11.7382]
_cell_length_c [11.7382]
... |
mp-1228429 | Ba2Fe4AsP3 | data_[Ba4Fe8As2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4640]
_cell_length_b [5.458... |
mp-10204 | MnSe | data_[Mn2Se2]
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 [P6_3/mmc]
_cell_length_a [3.8594]
_cell_length_b [3.8594]
_cell_length_c [5.9724]
_cell_angle_alpha [90.0000]
_ce... |
mp-1218457 | Sr4ZrTi3O12 | data_[Sr4Zr1Ti3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [P4/mmm]
_cell_length_a [4.0281]
_cell_length_b [4.... |
mp-552604 | YBi2ClO4 | data_[Y1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9012]
_cell_length_b [3.901... |
mp-13001 | Ba2HoTaO6 | data_[Ba8Ho4Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5193]
_cell_length_b [8.5... |
mp-1221873 | Mn3V2Ga2Co | data_[Mn9V6Ga6Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
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 [R3m]
_cell_length_a [4.0867]
_cell_length_b [4.0867... |
mp-1224377 | Hf2Al3Co | data_[Hf4Al6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2294]
_cell_length_b [5.2294]
_cell_length_c [8.2324]... |
mp-1190025 | Ba2US6 | data_[Ba4U2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.4685]
_cell_length_b [5.4685]
_cell_length_c [16.0609]
_... |
mp-543045 | Tl2CO3 | data_[Tl8C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0259]
_cell_length_b [5.5041]
_cell_length_c [7.7288]
_cell... |
mp-1105305 | NdMn3V4O12 | data_[Nd2Mn6V8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5739]
_cell_length_b [7.5739... |
mp-571434 | La(AsPd)2 | data_[La2As4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3669]
_cell_length_b [4.3669]
_cell_length_c [10.4818]
... |
mp-1209139 | Sb4Te7Pb | data_[Sb4Te7Pb1]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3804]
_cell_length_b [4.3804]
_cell_length_c [24.1576]
_... |
mp-7025 | RbTeAu | data_[Rb2Te2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7838]
_cell_length_b [4.7838]
_cell_length_c [10.6977... |
mp-8623 | K2Te2Pt | data_[K4Te4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0315]
_cell_length_b [7.9719]
_cell_length_c [10.4906]
_cel... |
mp-9588 | LiP | data_[Li8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5939]
_cell_length_b [4.9704]
_cell_length_c [10.2508]
_cell_angle_alpha [90.0000]
_cell_... |
mp-557414 | BaSi6N8O | data_[Ba2Si12N16O2]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [8.1721]
_cell_length_b [9.799... |
mp-1105580 | U2Si5Os3 | data_[U8Si20Os12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1858]
_cell_length_b [11.7619]
_cell_length_c [5.7652]
_... |
mp-1111572 | K2TlPdF6 | data_[K8Tl4Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1207]
_cell_length_b [9.120... |
mvc-8086 | Sn(GeO3)2 | data_[Sn4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1969]
_cell_length_b [9.1754]
_cell_length_c [5.6551]
_ce... |
mp-1208885 | SmVSb3 | data_[Sm4V4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.0908]
_cell_length_b [6.2704]
_cell_length_c [6.0370]
_ce... |
mp-19262 | Cr2CdO4 | data_[Cr16Cd8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.7729]
_cell_length_b [8.7729]
_cell_length_c [8.7729]
_c... |
mp-1185113 | La3Cd | data_[La6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2952]
_cell_length_b [7.2952]
_cell_length_c [5.6750]
_cell_angle_alpha [90.0000]
_ce... |
mp-18829 | Sr2ZnMoO6 | data_[Sr8Zn4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
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 [8.0465]
_cell_length_b [8.0... |
mp-1187467 | ThBiAu2 | data_[Th4Bi4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3522]
_cell_length_b [7.3522]
_cell_length_c [7.3522]
_c... |
mp-1078996 | Nb3Si2 | data_[Nb6Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7611]
_cell_length_b [6.7611]
_cell_length_c [3.5112]
_cell_angle_alpha [90.0000]
_cell... |
mp-1188172 | Ti5CuSb3 | data_[Ti10Cu2Sb6]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.1887]
_cell_length_b [8.1887]
_cell_length_c [5.5006... |
mp-867241 | Ac2GePd | data_[Ac8Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7276]
_cell_length_b [7.7276]
_cell_length_c [7.7276]
_c... |
mp-29628 | Na4SnS4 | data_[Na8Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42_1c]
_cell_length_a [7.9294]
_cell_length_b [7.9294]
_cell_length_c [7.0060]
_c... |
mp-675801 | KNbCl6 | data_[K2Nb2Cl12]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.3393]
_cell_length_b [10.3492]
_cell_length_c [7.3650]
_ce... |
mp-996958 | AgHO2 | data_[Ag4H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4763]
_cell_length_b [7.3883]
_cell_length_c [3.9459]
_cell_ang... |
mp-1008556 | AlGaN2 | data_[Al1Ga1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.1642]
_cell_length_b [3.1642]
_cell_length_c [4.4673]
_cel... |
mp-20868 | Fe2W | data_[Fe8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6796]
_cell_length_b [4.6796]
_cell_length_c [7.7948]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224691 | Fe2SbTe3 | data_[Fe2Sb1Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3761]
_cell_length_b [3.7431]
_cell_length_c [6.2887]
_cell... |
mp-1217370 | Ti(NbNi4)3 | data_[Ti1Nb3Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1988]
_cell_length_b [10.1787]
_cell_length_c [4.5421]
_... |
mp-1219735 | PrYMg6 | data_[Pr3Y3Mg18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2091]
_cell_length_b [5.2091]
_cell_length_c [25.6549]
_ce... |
mp-1080847 | Mg3SbN | data_[Mg3Sb1N1]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3775]
_cell_length_b [4.3775]
_cell_length_c [4.3775]
_cel... |
mp-1215914 | YCuSi | data_[Y1Cu1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [4.0515]
_cell_length_b [4.0515]
_cell_length_c [3.9751]
_cel... |
mp-1520471 | BaSrTbSbO6 | data_[Ba4Sr4Tb4Sb4O24]
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
Tb 1.1000 1.7500 0.9815
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-979432 | YLuCd2 | data_[Y4Lu4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4391]
_cell_length_b [7.4391]
_cell_length_c [7.4391]
_cel... |
mp-1094437 | Mg2Zn | data_[Mg8Zn4]
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 [Cmcm]
_cell_length_a [9.3544]
_cell_length_b [5.0885]
_cell_length_c [4.9400]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1027692 | MoSe2 | data_[Mo4Se8]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3269]
_cell_length_b [3.3269]
_cell_length_c [40.9028]
_cell_angle_alpha [90.0000]
_cell... |
mp-1213076 | CsLu(MoO4)2 | data_[Cs1Lu1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Lu 1.2700 1.7500 1.0010
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0018]
_cell_length_b [6.00... |
mp-30800 | NdZn2 | data_[Nd4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.6079]
_cell_length_b [7.4599]
_cell_length_c [7.5618]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-6068 | Sr2TbRuO6 | data_[Sr4Tb2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8229]
_cell_length_b [5.... |
mp-977435 | ZrAlRh2 | data_[Zr4Al4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3494]
_cell_length_b [6.3494]
_cell_length_c [6.3494]
_c... |
mp-1206892 | Ho2MgPd2 | data_[Ho4Mg2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6038]
_cell_length_b [7.6038]
_cell_length_c [3.8320]
_... |
mp-9389 | HoCuGe | data_[Ho2Cu2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.2589]
_cell_length_b [4.2589]
_cell_length_c [7.1622]
_... |
mp-1014168 | CsPbBr3 | data_[Cs4Pb4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.4471]
_cell_length_b [8.4471]
_cell_length_c [11.9813]... |
mp-865401 | Tm2ZnTc | data_[Tm8Zn4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8816]
_cell_length_b [6.8816]
_cell_length_c [6.8816]
_c... |
mp-569886 | KIn9Ni2 | data_[K1In9Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.8417]
_cell_length_b [8.8417]
_cell_length_c [4.3653]
_ce... |
mp-865731 | Li2HgPd | data_[Li8Hg4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2895]
_cell_length_b [6.2895]
_cell_length_c [6.2895]
_c... |
mp-1092281 | Ti2TlC | data_[Ti4Tl2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1787]
_cell_length_b [3.1787]
_cell_length_c [14.2399]
... |
mp-19421 | FeWO4 | data_[Fe2W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.8203]
_cell_length_b [5.7695]
_cell_length_c [5.1153]
_cell_a... |
mp-1221875 | MnFe3(BiO3)4 | data_[Mn1Fe3Bi4O12]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6826]
_cell_length_b [5.6944... |
mp-1214711 | Ba2EuCoCu2O7 | data_[Ba2Eu1Co1Cu2O7]
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
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_... |
mp-1078429 | EuGa3Pd | data_[Eu4Ga12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.4321]
_cell_length_b [10.4769]
_cell_length_c [5.9320]
_... |
mp-1105938 | K2Dy4Cu4S9 | data_[K4Dy8Cu8S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Dy 1.2200 1.7500 1.1310
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 [13.7728]
_cell_length_b [3.952... |
mp-315 | PbF2 | data_[Pb4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9973]
_cell_length_b [5.9973]
_cell_length_c [5.9973]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1216079 | YAlCo | data_[Y8Al8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4957]
_cell_length_b [5.4581]
_cell_length_c [9.2885]
_cell... |
mp-2951 | CdGeO3 | data_[Cd8Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3787]
_cell_length_b [9.8779]
_cell_length_c [5.4847]
_ce... |
mp-1186200 | Nb2CrRu | data_[Nb8Cr4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2930]
_cell_length_b [6.2930]
_cell_length_c [6.2930]
_c... |
mp-1183005 | Ag2Se | data_[Ag8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.8908]
_cell_length_b [6.6729]
_cell_length_c [11.1363]
_cell_angle_alpha [90.0000]
... |
mp-10930 | TbSF | data_[Tb2S2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8072]
_cell_length_b [3.8072]
_cell_length_c [6.8759]
_cell... |
mp-22600 | Sc3P2 | data_[Sc12P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9264]
_cell_length_b [3.7836]
_cell_length_c [14.4353]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-865365 | Tm2NiIr | data_[Tm8Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7085]
_cell_length_b [6.7085]
_cell_length_c [6.7085]
_c... |
mp-3708 | Tl(FeTe)3 | data_[Tl2Fe6Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.4529]
_cell_length_b [9.4529]
_cell_length_c [4.2518]
_... |
mp-1205971 | K2SnF6 | data_[K2Sn1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9727]
_cell_length_b [5.9727]
_cell_length_c [4.8875]
_cell_... |
mp-1068977 | K2PdC2 | data_[K2Pd1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1860]
_cell_length_b [5.1860]
_cell_length_c [5.2961]
_cell_... |
mp-3824 | Ta9(NiS3)2 | data_[Ta9Ni2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.1999]
_cell_length_b [10.1999]
_cell_length_c [3.3965]
_c... |
mp-28164 | Ba4P2O | data_[Ba16P8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.2573]
_cell_length_b [16.5863]
_cell_length_c [7.6274]
_cell... |
mp-28512 | Ba(ClO3)2 | data_[Ba8Cl16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.0132]
_cell_length_b [13.5226]
_cell_length_c [7.9121]
_... |
mp-753215 | Mn2F5 | data_[Mn8F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9573]
_cell_length_b [5.3080]
_cell_length_c [7.9792]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-560547 | KCrF3 | data_[K4Cr4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.9609]
_cell_length_b [5.9609]
_cell_length_c [8.6944]
_cell_... |
mp-1080121 | KSe3 | data_[K4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.7177]
_cell_length_b [5.4715]
_cell_length_c [8.3544]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1095457 | Nd2In8Co | data_[Nd2In8Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6822]
_cell_length_b [4.6822]
_cell_length_c [12.2762]
... |
mp-1102849 | BaErAgSe3 | data_[Ba4Er4Ag4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2984]
_cell_length_b [14... |
mp-1222593 | Lu3MnFe3O10 | data_[Lu9Mn3Fe9O30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4791]
_cell_length_b [3.479... |
mp-1222516 | Li8CuN3 | data_[Li16Cu2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8618]
_cell_length_b [3.6591]
_cell_length_c [7.3769]
_cel... |
mp-1018102 | ZrPd2 | data_[Zr2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4773]
_cell_length_b [3.4773]
_cell_length_c [8.7415]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078217 | NaFeF3 | data_[Na4Fe4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1851]
_cell_length_b [10.3609]
_cell_length_c [7.5182]
_ce... |
mp-15694 | PaAs | data_[Pa4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7964]
_cell_length_b [5.7964]
_cell_length_c [5.7964]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1281617 | SrMn2BiO6 | data_[Sr2Mn4Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5356]
_cell_length_b [5.5573... |
mp-1206403 | Rb2LiVCl6 | data_[Rb8Li4V4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0299]
_cell_length_b [10... |
mp-2204 | Nd3Te4 | data_[Nd12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5453]
_cell_length_b [9.5453]
_cell_length_c [9.5453]
_cell_angle_alpha [90.0000]
_cel... |
mp-24150 | LiNd2HO3 | data_[Li2Nd4H2O6]
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
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5047]
_cell_length_b [3.7164]... |
mp-567530 | KMnCl3 | data_[K4Mn4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9240]
_cell_length_b [3.9036]
_cell_length_c [14.6129]
_ce... |
mp-1218184 | SrLaAlO4 | data_[Sr2La2Al2O8]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8017]
_cell_length_b [3.801... |
mp-1105401 | NaYMnWO6 | data_[Na2Y2Mn2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [... |
mp-30634 | HoFe3 | data_[Ho9Fe27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0836]
_cell_length_b [5.0836]
_cell_length_c [24.2960]
_cell_angle_alpha [90.0000]
_cell... |
mp-1102817 | Pr(Ge2Rh3)2 | data_[Pr1Ge4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2356]
_cell_length_b [7.2356]
_cell_length_c [3.9131]
_c... |
mp-1104382 | Cr2GaS4 | data_[Cr16Ga8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.1210]
_cell_length_b [10.1210]
_cell_length_c [10.1210]... |
mp-1205395 | BaMg(CO3)2 | data_[Ba6Mg6C12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.0940]
_cell_length_b [5.094... |
mp-1221975 | Mn(GaS2)2 | data_[Mn1Ga2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2370]
_cell_length_b [3.7096]
_cell_length_c [6.7784]
_cell_a... |
mp-1105861 | Tm3Ge3Ru2 | data_[Tm12Ge12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2409]
_cell_length_b [10.6978]
_cell_length_c [13.8060]... |
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