Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1039293 | Mg3Cd | data_[Mg6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5779]
_cell_length_b [4.5779]
_cell_length_c [8.4490]
_cell_angle_alpha [90.0000]
_cell... |
mp-569257 | Ca3(B3Rh4)2 | data_[Ca12B24Rh32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5519]
_cell_length_b [9.8146]
_cell_length_c [17.1337]
_... |
mp-973629 | LuAlPd | data_[Lu3Al3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0401]
_cell_length_b [7.0401]
_cell_length_c [4.0226]
_c... |
mp-625513 | Te(HO2)2 | data_[Te2H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8848]
_cell_length_b [4.8942]
_cell_length_c [5.3862]
_cell... |
mp-862486 | Sc2AlOs | data_[Sc8Al4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5775]
_cell_length_b [6.5775]
_cell_length_c [6.5775]
_c... |
mp-4979 | AlCuS2 | data_[Al4Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.3268]
_cell_length_b [5.3268]
_cell_length_c [10.5363]
_ce... |
mp-1103919 | CeMg12 | data_[Ce2Mg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.3901]
_cell_length_b [10.3901]
_cell_length_c [5.8256]
_cell_angle_alpha [90.0000]
_c... |
mp-865490 | V2CrFe | data_[V8Cr4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7445]
_cell_length_b [5.7445]
_cell_length_c [5.7445]
_cel... |
mp-1207421 | Zr3Zn2 | data_[Zr12Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.6831]
_cell_length_b [7.6831]
_cell_length_c [6.7340]
_cell_angle_alpha [90.0000]
_c... |
mp-980060 | TbAg3 | data_[Tb2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5458]
_cell_length_b [4.5458]
_cell_length_c [8.0928]
_cell_angle_alpha [90.0000]
_cell... |
mp-1212883 | Er12Co5Bi | data_[Er24Co10Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3331]
_cell_length_b [9.3393]
_cell_length_c [9.8064]
_... |
mp-2693 | SnSe | data_[Sn4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0654]
_cell_length_b [6.0654]
_cell_length_c [6.0654]
_cell_angle_alpha [90.0000]
_cell_... |
mp-625051 | NaHO | data_[Na3H3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8113]
_cell_length_b [3.8113]
_cell_length_c [7.6215]
_cell_an... |
mp-1012110 | Cs | data_[Cs4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.3544]
_cell_length_b [10.0220]
_cell_length_c [8.7318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-862880 | PmBiPd2 | data_[Pm4Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0412]
_cell_length_b [7.0412]
_cell_length_c [7.0412]
_c... |
mp-1223970 | Ho4MnS7 | data_[Ho8Mn2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5140]
_cell_length_b [3.7943]
_cell_length_c [11.4432]
_cel... |
mp-677244 | Tb5(RuO6)2 | data_[Tb10Ru4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [C2/m]
_cell_length_a [12.5985]
_cell_length_b [5.7793]
_cell_length_c [7.3214]
_c... |
mp-1187285 | Tb3Ho | data_[Tb3Ho1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0251]
_cell_length_b [5.0251]
_cell_length_c [5.0251]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10457 | HfSiPd | data_[Hf4Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6060]
_cell_length_b [3.8911]
_cell_length_c [7.6157]
_ce... |
mp-1220473 | NbTlTeO6 | data_[Nb4Tl4Te4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.3275]
_cell_length_b [10.3... |
mp-11521 | ScNi | data_[Sc1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1667]
_cell_length_b [3.1667]
_cell_length_c [3.1667]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104878 | VPO4F | data_[V4P4O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2697]
_cell_length_b [7.3396]
_c... |
mp-978505 | SmLuRu2 | data_[Sm4Lu4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Lu 1.2700 1.7500 1.0010
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7846]
_cell_length_b [6.7846]
_cell_length_c [6.7846]
_c... |
mp-30766 | Li5Sn2 | data_[Li15Sn6]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7157]
_cell_length_b [4.7157]
_cell_length_c [19.7957]
_cell_angle_alpha [90.0000]
_cell... |
mp-27442 | RbCrI3 | data_[Rb8Cr8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.0413]
_cell_length_b [8.1264]
_cell_length_c [14.4209]
_cel... |
mp-1180153 | NaV3(SO7)2 | data_[Na3V9S6O42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.0592]
_cell_length_b [7.0592]
_... |
mp-1104756 | TlV4FeS8 | data_[Tl2V8Fe2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4124]
_cell_length_b [3.303... |
mp-1183832 | CeAsRh | data_[Ce2As2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3100]
_cell_length_b [4.3100]
_cell_length_c [7.5939]... |
mp-774172 | Mn3OF5 | data_[Mn12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.0765]
_cell_length_b [20.3535]
_cell_length_c [3.2459]
_cel... |
mp-1105589 | Al2Si2H4O9 | data_[Al4Si4H8O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2716]
_cell_length_b [9.0544]
... |
mp-1210772 | Li2H6PtO6 | data_[Li2H6Pt1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.5547]
_cell_length_b [5.5547... |
mp-30418 | SnAu5 | data_[Sn3Au15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.2038]
_cell_length_b [5.2038]
_cell_length_c [14.6497]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8244 | Ti5TlSe8 | data_[Ti10Tl2Se16]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9025]
_cell_length_b [3.5740]
_cell_length_c [9.2449]
... |
mp-12077 | Y(FeB)2 | data_[Y2Fe4B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6243]
_cell_length_b [3.6243]
_cell_length_c [9.4151]
_cell... |
mp-1223895 | HoSc(BRh)8 | data_[Ho1Sc1B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.3308]
_cell_length_b [5.33... |
mp-11736 | ZrSiO4 | data_[Zr4Si4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [4.7862]
_cell_length_b [4.7862]
_cell_length_c [10.6588]
_... |
mp-13583 | Sc2Si2Ru | data_[Sc8Si8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1074]
_cell_length_b [4.0961]
_cell_length_c [9.5019]
_c... |
mp-996945 | Cs2TlInH6 | data_[Cs8Tl4In4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1662]
_cell_length_b [9.1... |
mp-15056 | NaZr2TiF11 | data_[Na2Zr4Ti2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2846]
_cell_length_b [6.88... |
mp-10469 | NbSiPt | data_[Nb4Si4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4859]
_cell_length_b [3.8579]
_cell_length_c [7.4323]
_ce... |
mp-10003 | Nb4CoSi | data_[Nb8Co2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.2285]
_cell_length_b [6.2285]
_cell_length_c [5.0232]
_... |
mp-1221319 | Na2SbAs | data_[Na8Sb4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6243]
_cell_length_b [6.1525]
_cell_length_c [12.1754]
... |
mvc-5052 | Zn2MoWO6 | data_[Zn4Mo2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3815]
_cell_length_b [5.37... |
mp-1219989 | PrFeCo4 | data_[Pr1Fe1Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0701]
_cell_length_b [5.0701]
_cell_length_c [3.9414]
_c... |
mp-766044 | SrLiLa3FeO8 | data_[Sr2Li2La6Fe2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length... |
mp-11028 | K3Hg11 | data_[K6Hg22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3202]
_cell_length_b [10.9700]
_cell_length_c [15.5123]
_cell_angle_alpha [90.0000]
_cell_... |
mp-567855 | RbGeI3 | data_[Rb4Ge4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.5991]
_cell_length_b [10.4136]
_cell_length_c [17.19... |
mp-30855 | UPt3 | data_[U2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7770]
_cell_length_b [5.7770]
_cell_length_c [4.9976]
_cell_angle_alpha [90.0000]
_cell... |
mp-704632 | Ba2Sm2Fe4O11 | data_[Ba4Sm4Fe8O22]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0525]
_cell_length_b [15.7... |
mp-1106365 | Th5Pb4 | data_[Th10Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8284]
_cell_length_b [9.8284]
_cell_length_c [6.6475]
_cell_angle_alpha [90.0000]
_c... |
mp-989604 | YMoN3 | data_[Y8Mo8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1571]
_cell_length_b [9.6101]
_cell_length_c [6.2999]
_cell... |
mp-561511 | FeAsS | data_[Fe4As4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7396]
_cell_length_b [5.6717]
_cell_length_c [5.7626]
_ce... |
mp-1216351 | VGaNi6 | data_[V1Ga1Ni6]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5606]
_cell_length_b [3.5606]
_cell_length_c [7.1138]
_ce... |
mp-20573 | DyMgIn | data_[Dy3Mg3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5382]
_cell_length_b [7.5382]
_cell_length_c [4.6763]
_c... |
mp-29057 | Nb3SBr7 | data_[Nb3S1Br7]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.2038]
_cell_length_b [7.2038]
_cell_length_c [6.9349]
_cell... |
mp-1207374 | Ce2Ge6Au | data_[Ce4Ge12Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2280]
_cell_length_b [4.1834]
_cell_length_c [22.3420]
_... |
mp-1101090 | GdAlNi | data_[Gd3Al3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0950]
_cell_length_b [7.0950]
_cell_length_c [3.8395]
_c... |
mp-13349 | KUCuS3 | data_[K4U4Cu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9620]
_cell_length_b [14.1485]... |
mp-867193 | Sr2BiAu | data_[Sr8Bi4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [8.0217]
_cell_length_b [8.0217]
_cell_length_c [8.0217]
_c... |
mp-2415 | DyTl3 | data_[Dy1Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7783]
_cell_length_b [4.7783]
_cell_length_c [4.7783]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1212691 | Hf2InPd2 | data_[Hf8In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5453]
_cell_length_b [7.5453]
_cell_length_c [6.7653]... |
mp-864794 | ZnAg3 | data_[Zn1Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1005]
_cell_length_b [4.1005]
_cell_length_c [4.1005]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1188839 | Nb4SiC3 | data_[Nb8Si2C6]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2060]
_cell_length_b [3.2060]
_cell_length_c [23.0049]
... |
mp-862485 | GaCuRh2 | data_[Ga4Cu4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0119]
_cell_length_b [6.0119]
_cell_length_c [6.0119]
_c... |
mp-20048 | U(Ni2P)2 | data_[U2Ni8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0205]
_cell_length_b [7.0205]
_cell_length_c [3.6583]
_ce... |
mp-28011 | Tl2Sn2S3 | data_[Tl8Sn8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4332]
_cell_length_b [8.3094]
_cell_length_c [7.1910]
_ce... |
mp-1224333 | Hf2HC | data_[Hf6H3C3]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3084]
_cell_length_b [3.3084]
_cell_length_c [15.6179]
_cell_... |
mp-1103591 | BaTmFe4O7 | data_[Ba2Tm2Fe8O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.4845]
_cell_length_b [6.484... |
mp-22320 | GaRu | data_[Ga1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0300]
_cell_length_b [3.0300]
_cell_length_c [3.0300]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1102332 | HgF2 | data_[Hg4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9607]
_cell_length_b [3.7733]
_cell_length_c [7.2994]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-23036 | K2SeBr6 | data_[K8Se4Br24]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7167]
_cell_length_b [10.7167]
_cell_length_c [10.7167]
... |
mp-1245558 | NaMnN | data_[Na2Mn2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.0366]
_cell_length_b [3.0366]
_cell_length_c [10.2517]
_c... |
mp-1105544 | Sm2Co17 | data_[Sm6Co51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3681]
_cell_length_b [8.3681]
_cell_length_c [12.2062]
_cell_angle_alpha [90.0000]
_cell... |
mp-867804 | ScPaRu2 | data_[Sc4Pa4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6827]
_cell_length_b [6.6827]
_cell_length_c [6.6827]
_c... |
mp-1112016 | K2ScInI6 | data_[K8Sc4In4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.4046]
_cell_length_b [12.4... |
mp-1224900 | GaAsRh4 | data_[Ga2As2Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0834]
_cell_length_b [7.6879]
_cell_length_c [5.5503]
_... |
mp-769205 | Li(NiS)2 | data_[Li4Ni8S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9423]
_cell_length_b [5.9980]
_cell_length_c [7.4838]
_ce... |
mp-753953 | GdAsO3 | data_[Gd4As4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4423]
_cell_length_b [12.0604]
_cell_length_c [6.5002]
_... |
mp-1221780 | Mn3FeAs4 | data_[Mn3Fe1As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4267]
_cell_length_b [3.4729]
_cell_length_c [6.0208]
_cell... |
mp-1227346 | Ca2CuAg | data_[Ca4Cu2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5353]
_cell_length_b [4.1024]
_cell_length_c [11.1795]
_c... |
mp-1184804 | K | data_[K16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.8485]
_cell_length_b [9.0708]
_cell_length_c [10.1140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-7066 | ScNiGe | data_[Sc4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4769]
_cell_length_b [4.0898]
_cell_length_c [7.0870]
_ce... |
mp-13922 | Ba2Ge | data_[Ba8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5657]
_cell_length_b [5.4758]
_cell_length_c [10.2460]
_cell_angle_alpha [90.0000]
_cell_... |
mp-398 | ErGa3 | data_[Er1Ga3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2550]
_cell_length_b [4.2550]
_cell_length_c [4.2550]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1102564 | Sc2Fe3Si | data_[Sc4Fe6Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9882]
_cell_length_b [4.9882]
_cell_length_c [7.9203]... |
mp-20469 | YbIn3 | data_[Yb1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6872]
_cell_length_b [4.6872]
_cell_length_c [4.6872]
_cell_angle_alpha [90.0000]
_cell_... |
mp-975341 | La3Mg | data_[La6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3324]
_cell_length_b [7.3324]
_cell_length_c [5.7498]
_cell_angle_alpha [90.0000]
_ce... |
mp-666 | UTe2 | data_[U4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2208]
_cell_length_b [6.1908]
_cell_length_c [13.8236]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-625467 | Eu(HO)3 | data_[Eu2H6O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [6.4276]
_cell_length_b [6.4276]
_cell_length_c [3.6908]
_cell... |
mp-1174183 | Li4Mn3CoO8 | data_[Li4Mn3Co1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0878]
_cell_length_b [5.1361... |
mp-1218207 | SrLaScO4 | data_[Sr4La4Sc4O16]
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
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.7493]
_cell_length_b [12... |
mp-1226886 | Ce4(Si3Rh)3 | data_[Ce4Si9Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1871]
_cell_length_b [4.2144]
_cell_length_c [16.6803]
_c... |
mp-706325 | CaDyMnSnO6 | data_[Ca2Dy2Mn2Sn2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-1225114 | GaFe4Co8Si3 | data_[Ga3Fe12Co24Si9]
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
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9994]
_cell_length_b [3... |
mp-1095026 | DyAgSe2 | data_[Dy4Ag4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [5.6761]
_cell_length_b [5.6761]
_cell_length_c [12.4935]
... |
mp-865780 | TiMn2Ga | data_[Ti4Mn8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [6.1254]
_cell_length_b [6.1254]
_cell_length_c [6.1254]
_c... |
mp-1079038 | HfSnIr | data_[Hf3Sn3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3583]
_cell_length_b [7.3583]
_cell_length_c [3.7075]
_c... |
mp-4170 | NaTaO3 | data_[Na1Ta1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9831]
_cell_length_b [3.9831]
_cell_length_c [3.9831]
_cel... |
mp-867871 | SmMgZn2 | data_[Sm4Mg4Zn8]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9317]
_cell_length_b [6.9317]
_cell_length_c [6.9317]
_c... |
mp-1228835 | CsHgBr2Cl | data_[Cs1Hg1Br2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6555]
_cell_length_b [5... |
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