Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-582142 | Ce3Bi4Pd3 | data_[Ce12Bi16Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.0829]
_cell_length_b [10.0829]
_cell_length_c [10.08... |
mp-21177 | TmIn3 | data_[Tm1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6164]
_cell_length_b [4.6164]
_cell_length_c [4.6164]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1219742 | PrNdSb | data_[Pr4Nd4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6039]
_cell_length_b [4.6039]
_cell_length_c [17.8280]
... |
mp-27850 | TiNCl | data_[Ti2N2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2754]
_cell_length_b [3.9667]
_cell_length_c [8.4025]
_cell... |
mp-752634 | Li2V4O5F8 | data_[Li4V8O10F16]
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 [C2/m]
_cell_length_a [12.4176]
_cell_length_b [3.6959... |
mp-1210789 | Li2SiS3 | data_[Li8Si4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6836]
_cell_length_b [6.8210]
_cell_length_c [6.0136]
_... |
mp-1102595 | CsNpAgS3 | data_[Cs4Np4Ag4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Np 1.3600 1.7500 1.0000
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1384]
_cell_length_b [15.7... |
mp-861665 | LiTmIn2 | data_[Li4Tm4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2192]
_cell_length_b [7.2192]
_cell_length_c [7.2192]
_c... |
mp-1178823 | V2CoO6 | data_[V4Co2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4134]
_cell_length_b [3.5404]
_cell_length_c [6.7324]
_cell_an... |
mp-1184624 | Ho2MgCd | data_[Ho8Mg4Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5011]
_cell_length_b [7.5011]
_cell_length_c [7.5011]
_c... |
mp-1102346 | DyNi4B | data_[Dy2Ni8B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9865]
_cell_length_b [4.9865]
_cell_length_c [6.9560]
_ce... |
mp-1105798 | Sm(Co2B)6 | data_[Sm3Co36B18]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4130]
_cell_length_b [9.4130]
_cell_length_c [7.4327]
_ce... |
mp-1211094 | LiCaVF6 | data_[Li2Ca2V2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2090]
_cell_length_b [5.209... |
mp-28075 | K2Ti2O5 | data_[K4Ti4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5247]
_cell_length_b [3.8070]
_cell_length_c [6.7308]
_cell... |
mp-542171 | HoNiGe | data_[Ho4Ni4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8984]
_cell_length_b [4.2256]
_cell_length_c [7.2756]
_ce... |
mp-976595 | LiLu2In | data_[Li4Lu8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3029]
_cell_length_b [7.3029]
_cell_length_c [7.3029]
_c... |
mp-1070253 | Ba(CoGe)2 | data_[Ba2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0226]
_cell_length_b [4.0226]
_cell_length_c [12.3539]
... |
mp-867347 | Al3Tc | data_[Al6Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8331]
_cell_length_b [3.8331]
_cell_length_c [8.0774]
_cell_angle_alpha [90.0000]
_cell... |
mp-1209134 | Sm12Co6Sn | data_[Sm24Co12Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.9775]
_cell_length_b [9.9775]
_cell_length_c [9.9775]
_... |
mvc-16803 | Li(NiO2)2 | data_[Li1Ni2O4]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9958]
_cell_length_b [2.8135]
_cell_length_c [5.1361]
_cell... |
mp-1039305 | MgBi | data_[Mg3Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9150]
_cell_length_b [3.9150]
_cell_length_c [12.7308]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1070483 | Sr(AlGe)2 | data_[Sr1Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2593]
_cell_length_b [4.2593]
_cell_length_c [7.4827]
_c... |
mp-1105162 | BaFe2(PO4)2 | data_[Ba1Fe2P2O8]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8269]
_cell_length_b [4.9233]
... |
mvc-5096 | WO3 | data_[W4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4183]
_cell_length_b [7.6189]
_cell_length_c [5.3507]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1018062 | FeSnRh2 | data_[Fe2Sn2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1639]
_cell_length_b [4.1639]
_cell_length_c [7.0783]
_... |
mp-1221702 | MnAlRh2 | data_[Mn1Al1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0301]
_cell_length_b [3.0301]
_cell_length_c [6.0860]
_... |
mp-1206199 | K3HoCl6 | data_[K12Ho4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ho 1.2300 1.7500 1.0410
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1598]
_cell_length_b [11.1598]
_cell_length_c [11.1598]... |
mp-14116 | CuRhO2 | data_[Cu3Rh3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1356]
_cell_length_b [3.1356]
_cell_length_c [17.1606]
_cel... |
mp-1094044 | SrCa3Mn4O12 | data_[Sr1Ca3Mn4O12]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3881]
_cell_length_b [7.6220... |
mp-10139 | Sc3SnB | data_[Sc3Sn1B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6585]
_cell_length_b [4.6585]
_cell_length_c [4.6585]
_cel... |
mp-1213792 | CeAl4Pd | data_[Ce4Al16Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2733]
_cell_length_b [15.8140]
_cell_length_c [6.6749]
_... |
mp-1186190 | NaSn3 | data_[Na2Sn6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9308]
_cell_length_b [6.9308]
_cell_length_c [5.2757]
_cell_angle_alpha [90.0000]
_ce... |
mp-8216 | LaBO3 | data_[La4B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9193]
_cell_length_b [5.1445]
_cell_length_c [8.2914]
_cell_... |
mp-1206745 | LiMg2Pb | data_[Li4Mg8Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2030]
_cell_length_b [7.2030]
_cell_length_c [7.2030]
_c... |
mp-1219240 | ScPaO4 | data_[Sc1Pa1O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7355]
_cell_length_b [3.7355]
_cell_length_c [5.2120]
_ce... |
mp-754437 | Na3(CoO2)2 | data_[Na12Co8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7447]
_cell_length_b [8.1030]
_cell_length_c [10.5343]
_c... |
mp-972478 | TmLuHg2 | data_[Tm4Lu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3291]
_cell_length_b [7.3291]
_cell_length_c [7.3291]
_c... |
mp-28883 | GeP2O7 | data_[Ge2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7274]
_cell_length_b [6.8151]
_cell_length_c [7.8803]
_cell_a... |
mp-1222898 | LaAlCu4 | data_[La2Al2Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3062]
_cell_length_b [8.8960]
_cell_length_c [4.1982]
_ce... |
mp-619510 | CsHg2Br5 | data_[Cs2Hg4Br10]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6303]
_cell_length_b [6.5687]
_cell_length_c [11.6294]... |
mp-1214502 | Ba3Nb2CdO9 | data_[Ba3Nb2Cd1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9763]
_cell_length_b [5.97... |
mp-13900 | Sr(CuO)2 | data_[Sr4Cu8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5225]
_cell_length_b [5.5225]
_cell_length_c [9.8556]
_... |
mp-1208545 | Tb(Fe2Si)2 | data_[Tb2Fe8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0997]
_cell_length_b [7.0997]
_cell_length_c [3.7735]... |
mp-3011 | Th(GeRh)2 | data_[Th2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2080]
_cell_length_b [4.2080]
_cell_length_c [10.4477]
... |
mp-1208902 | Sm2ZnPtO6 | data_[Sm4Zn2Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4609]
_cell_length_b [5.... |
mp-432 | NbRu | data_[Nb1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0627]
_cell_length_b [3.0627]
_cell_length_c [3.4497]
_cell_angle_alpha [90.0000]
_cell... |
mp-14969 | BaErCuS3 | data_[Ba4Er4Cu4S12]
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
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0044]
_cell_length_b [13.5... |
mp-571143 | TiCl3 | data_[Ti2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [6.7372]
_cell_length_b [6.7372]
_cell_length_c [5.7215]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206951 | GdMgTl | data_[Gd3Mg3Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6380]
_cell_length_b [7.6380]
_cell_length_c [4.7271]
_c... |
mp-19399 | Cr2O3 | data_[Cr12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.0698]
_cell_length_b [5.0698]
_cell_length_c [13.8716]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1018888 | PdCl2 | data_[Pd2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3703]
_cell_length_b [3.4202]
_cell_length_c [11.8752]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215852 | YbEu(SiAu)4 | data_[Yb1Eu1Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4121]
_cell_length_b [4... |
mp-1221907 | Mn3CrTe4 | data_[Mn3Cr1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2162]
_cell_length_b [4.2162]
_cell_length_c [12.0612]
_... |
mp-1187845 | YHoHg2 | data_[Y4Ho4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4464]
_cell_length_b [7.4464]
_cell_length_c [7.4464]
_cel... |
mp-864768 | LiSnIr2 | data_[Li4Sn4Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2223]
_cell_length_b [6.2223]
_cell_length_c [6.2223]
_c... |
mp-1227370 | Ca2Ti2SiGeO10 | data_[Ca4Ti4Si2Ge2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a... |
mp-753512 | TiWO4 | data_[Ti3W3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7140]
_cell_length_b [3.1237]
_cell_length_c [14.1824]
_cell... |
mp-1105160 | SrIrO3 | data_[Sr4Ir4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6889]
_cell_length_b [7.9435]
_cell_length_c [5.6417]
_cel... |
mp-1018745 | LaSbPd | data_[La2Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6541]
_cell_length_b [4.6541]
_cell_length_c [8.2021]... |
mp-1224079 | Ho4CrS7 | data_[Ho8Cr2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3744]
_cell_length_b [3.7829]
_cell_length_c [11.3062]
_cel... |
mp-1188683 | NdBS3 | data_[Nd4B4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.5732]
_cell_length_b [6.0716]
_cell_length_c [8.9274]
_cel... |
mp-774873 | NbS2 | data_[Nb2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3893]
_cell_length_b [3.3893]
_cell_length_c [14.2382]
_cell_angle_alpha [90.0000]
_cel... |
mp-7017 | NaNbN2 | data_[Na3Nb3N6]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1502]
_cell_length_b [3.1502]
_cell_length_c [17.1545]
_cel... |
mp-867802 | Sc2CuOs | data_[Sc8Cu4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4691]
_cell_length_b [6.4691]
_cell_length_c [6.4691]
_c... |
mp-754494 | BaLaBr5 | data_[Ba2La2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3517]
_cell_length_b [4.6925]
_cell_length_c [13.8357]... |
mp-999447 | NaSmTe2 | data_[Na3Sm3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5132]
_cell_length_b [4.5132]
_cell_length_c [22.6847]
_c... |
mp-865797 | LuCo2Sn | data_[Lu4Co8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3500]
_cell_length_b [6.3500]
_cell_length_c [6.3500]
_c... |
mp-2688 | HoGa3 | data_[Ho1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2633]
_cell_length_b [4.2633]
_cell_length_c [4.2633]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30212 | La5Bi3Br | data_[La10Bi6Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8315]
_cell_length_b [9.8315]
_cell_length_c [6.8717... |
mp-1025329 | TlSiPt5 | data_[Tl1Si1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0137]
_cell_length_b [4.0137]
_cell_length_c [7.2485]
_... |
mp-1104451 | SmGa6 | data_[Sm2Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0569]
_cell_length_b [6.0569]
_cell_length_c [7.6189]
_cell_angle_alpha [90.0000]
_cel... |
mp-2168 | 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 [Cmcm]
_cell_length_a [4.2895]
_cell_length_b [12.0121]
_cell_length_c [4.3010]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1106030 | TiMnGe | data_[Ti12Mn12Ge12]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.2964]
_cell_length_b [11.0775]
_cell_length_c [6.4337]... |
mp-1518710 | SrCaEuSbO6 | data_[Sr2Ca2Eu2Sb2O12]
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
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-4n2]
_cell_lengt... |
mp-864672 | NbSiTc2 | data_[Nb4Si4Tc8]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1854]
_cell_length_b [6.1854]
_cell_length_c [6.1854]
_c... |
mp-1105019 | DyGa3Ru | data_[Dy3Ga9Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4395]
_cell_length_b [6.4395]
_cell_length_c [6.4395]
_c... |
mp-1094592 | LiMg | data_[Li3Mg3]
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 [P3m1]
_cell_length_a [3.1511]
_cell_length_b [3.1511]
_cell_length_c [14.9087]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1027551 | Mo3W(SeS)4 | data_[Mo3W1Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2542]
_cell_length_b [3.2542]... |
mp-550172 | SnO2 | data_[Sn2O4]
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 [Pnnm]
_cell_length_a [4.7880]
_cell_length_b [4.8666]
_cell_length_c [3.2409]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1102097 | Tb2(NiB2)3 | data_[Tb4Ni6B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7295]
_cell_length_b [8.6797]
_cell_length_c [3.4891]
_cel... |
mp-867863 | SmCu4Ag | data_[Sm4Cu16Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2137]
_cell_length_b [7.2137]
_cell_length_c [7.2137]
_... |
mp-1173947 | Li3Mn2O5 | data_[Li6Mn4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0845]
_cell_length_b [5.2319]
_cell_length_c [7.6319]
_cell... |
mp-1114608 | Rb2TlSbBr6 | data_[Rb8Tl4Sb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9106]
_cell_length_b [... |
mp-975640 | Pr3(CuSn)4 | data_[Pr6Cu8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6160]
_cell_length_b [7.0589]
_cell_length_c [15.1385]
_c... |
mp-1222381 | Mn4In4(SeS)5 | data_[Mn8In8Se10S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [33.2692]
_cell_length_b [3.97... |
mp-1187478 | TiCd3 | data_[Ti2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2032]
_cell_length_b [6.2032]
_cell_length_c [4.8317]
_cell_angle_alpha [90.0000]
_ce... |
mp-1522483 | BaSrTbSnO6 | data_[Ba4Sr4Tb4Sn4O24]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1226611 | CeY4Rh5 | data_[Ce1Y4Rh5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4524]
_cell_length_b [3.4524]
_cell_length_c [17.1841]
_c... |
mp-27729 | ICl3 | data_[I2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0173]
_cell_length_b [6.2388]
_cell_length_c [8.8397]
_cell_angle_alpha [71.2667]
_cell_angl... |
mvc-5828 | MoIrO6 | data_[Mo2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2744]
_cell_length_b [5.3530]
_cell_length_c [9.1933]
_c... |
mp-27719 | Al2CuO4 | data_[Al16Cu8O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.1559]
_cell_length_b [8.1559]
_cell_length_c [8.1559]
_c... |
mp-556546 | K2NiF4 | data_[K4Ni2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0750]
_cell_length_b [4.0750]
_cell_length_c [13.1995]
_cel... |
mp-27332 | Cs3MnBr5 | data_[Cs12Mn4Br20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.9284]
_cell_length_b [9.9284]
_cell_length_c [15.6119... |
mp-12932 | TbTaO4 | data_[Tb2Ta2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1711]
_cell_length_b [5.5351]
_cell_length_c [5.3630]
_cell... |
mp-546561 | NdCrS2O | data_[Nd4Cr4S8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6388]
_cell_length_b [3.7308... |
mp-1219768 | Rb2BaBr4 | data_[Rb8Ba4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [10.1217]
_cell_length_b [10.1217]
_cell_length_c [10.3286... |
mp-1209571 | Rb2MnFe(CN)6 | data_[Rb8Mn4Fe4C24N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length... |
mp-11222 | Sm3Al | data_[Sm3Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8482]
_cell_length_b [4.8482]
_cell_length_c [4.8482]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105643 | Hf2Be17 | data_[Hf6Be51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4689]
_cell_length_b [7.4689]
_cell_length_c [10.9375]
_cell_angle_alpha [90.0000]
_cell... |
mp-1220587 | Nb3V3Ge2 | data_[Nb9V9Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.0620]
_cell_length_b [7.0620]
_cell_length_c [8.6600]
_cell_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.