Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-11273 | Be3Nb | data_[Be27Nb9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5663]
_cell_length_b [4.5663]
_cell_length_c [21.0751]
_cell_angle_alpha [90.0000]
_cell... |
mp-1066609 | VFeCoSi | data_[V4Fe4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [F-43m]
_cell_length_a [5.6513]
_cell_length_b [5.65... |
mp-1104753 | La3Pt2 | data_[La27Pt18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2282]
_cell_length_b [9.2282]
_cell_length_c [17.3103]
_cell_angle_alpha [90.0000]
_cell... |
mp-10748 | TaCu3S4 | data_[Ta1Cu3S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.5648]
_cell_length_b [5.5648]
_cell_length_c [5.5648]
_cel... |
mp-756926 | Li4Ni3BiO8 | data_[Li12Ni9Bi3O24]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0663]
_cell_length_b [6.0... |
mp-861645 | Ca2MgTl | data_[Ca8Mg4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8068]
_cell_length_b [7.8068]
_cell_length_c [7.8068]
_c... |
mp-1186486 | Pm2RuPt | data_[Pm8Ru4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0855]
_cell_length_b [7.0855]
_cell_length_c [7.0855]
_c... |
mp-1207683 | TmMnSi | data_[Tm4Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8506]
_cell_length_b [4.0150]
_cell_length_c [7.6504]
_ce... |
mp-1094169 | LaMg3 | data_[La2Mg6]
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 [6.9371]
_cell_length_b [6.9371]
_cell_length_c [5.2670]
_cell_angle_alpha [90.0000]
_ce... |
mp-1077906 | CO2 | data_[C4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.1040]
_cell_length_b [4.6949]
_cell_length_c [6.8147]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-863718 | PmNi3 | data_[Pm2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8429]
_cell_length_b [5.8429]
_cell_length_c [4.2345]
_cell_angle_alpha [90.0000]
_ce... |
mp-752648 | Ba3(BrO)2 | data_[Ba6Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5988]
_cell_length_b [8.2007]
_cell_length_c [7.8982]
_ce... |
mp-5313 | HoCo3B2 | data_[Ho1Co3B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9808]
_cell_length_b [4.9808]
_cell_length_c [3.0288]
_ce... |
mp-1217211 | U3SiPt5 | data_[U12Si4Pt20]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [13.2217]
_cell_length_b [7.4811]
_cell_length_c [7.0377]
_c... |
mp-1205965 | Zr6CoTe2 | data_[Zr6Co1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7718]
_cell_length_b [7.7718]
_cell_length_c [3.6594]
_c... |
mp-27762 | UBrN | data_[U2Br2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8401]
_cell_length_b [3.8401]
_cell_length_c [8.7054]
_cell... |
mp-36305 | Pr2UTe4 | data_[Pr8U4Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.5203]
_cell_length_b [9.5203]
_cell_length_c [9.4879]
_ce... |
mp-12047 | K3Na(RuO4)2 | data_[K3Na1Ru2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0813]
_cell_length_b [6.0813... |
mp-755072 | Na2O | data_[Na4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.1116]
_cell_length_b [5.4035]
_cell_length_c [3.6888]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-771970 | Mn3CoO8 | data_[Mn9Co3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [R-3m]
_cell_length_a [5.8013]
_cell_length_b [5.8013]
_cell_length_c [14.1379]
_ce... |
mp-625452 | Pr(HO)3 | data_[Pr2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5613]
_cell_length_b [3.7706]
_cell_length_c [6.5971]
_cell_ang... |
mp-975909 | LiAu3 | data_[Li2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0189]
_cell_length_b [4.0189]
_cell_length_c [8.4464]
_cell_angle_alpha [90.0000]
_cell... |
mp-1102855 | ScGeIr | data_[Sc4Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5104]
_cell_length_b [4.1487]
_cell_length_c [7.5238]
_ce... |
mp-1103177 | FeSe2 | data_[Fe4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [5.7885]
_cell_length_b [5.7885]
_cell_length_c [5.7885]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-546711 | CsClO4 | data_[Cs4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1056]
_cell_length_b [8.1056]
_cell_length_c [8.1056]
_ce... |
mp-865953 | AcYbZn2 | data_[Ac4Yb4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5777]
_cell_length_b [7.5777]
_cell_length_c [7.5777]
_c... |
mp-1104490 | Pr(Al2Cr)4 | data_[Pr2Al16Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.0185]
_cell_length_b [9.0185]
_cell_length_c [5.0639]
... |
mp-867731 | Cd2PbO4 | data_[Cd4Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.7520]
_cell_length_b [10.1775]
_cell_length_c [3.3653]
_cel... |
mp-1184974 | Li2ScIn | data_[Li8Sc4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6305]
_cell_length_b [6.6305]
_cell_length_c [6.6305]
_c... |
mp-1184972 | Li2InBi | data_[Li8In4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1062]
_cell_length_b [7.1062]
_cell_length_c [7.1062]
_c... |
mp-14252 | Ca3UO6 | data_[Ca18U6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7009]
_cell_length_b [9.7009]
_cell_length_c [11.5009]
_cell... |
mp-1224343 | In4CuAg3Te8 | data_[In4Cu1Ag3Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [6.5237]
_cell_length_b [6.52... |
mp-1185500 | LuMgAg2 | data_[Lu4Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9258]
_cell_length_b [6.9258]
_cell_length_c [6.9258]
_c... |
mp-1220168 | NdGa3Cu | data_[Nd2Ga6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1980]
_cell_length_b [4.1980]
_cell_length_c [10.6205]
_... |
mp-27724 | BPS4 | data_[B2P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [5.2867]
_cell_length_b [6.2602]
_cell_length_c [10.5869]
_cell_an... |
mp-1101828 | TbAsS | data_[Tb4As4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.1170]
_cell_length_b [3.8440]
_cell_length_c [3.8670]
_cel... |
mp-642735 | Rb2H4Pt | data_[Rb4H8Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.9626]
_cell_length_b [5.9626]
_cell_length_c [8.4180]
_... |
mp-568225 | TbB4 | data_[Tb4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1192]
_cell_length_b [7.1192]
_cell_length_c [4.0315]
_cell_angle_alpha [90.0000]
_cell_... |
mp-16356 | TiNiGe | data_[Ti4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2556]
_cell_length_b [3.7472]
_cell_length_c [7.1666]
_ce... |
mp-1215736 | Yb4Zr3O12 | data_[Yb4Zr3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3827]
_cell_length_b [6.4082]
_cell_length_c [6.5322]
_cell... |
mp-1018025 | LuAgO2 | data_[Lu3Ag3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4210]
_cell_length_b [3.4210]
_cell_length_c [18.7682]
_cel... |
mp-1217675 | Tb2ZnSb4 | data_[Tb2Zn1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3152]
_cell_length_b [4.3152]
_cell_length_c [10.0701]
_... |
mp-976244 | LiMg | data_[Li6Mg6]
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 [Cm]
_cell_length_a [11.0601]
_cell_length_b [3.3262]
_cell_length_c [7.0195]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-541622 | KCu3Te2 | data_[K4Cu12Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3874]
_cell_length_b [4.2610]
_cell_length_c [8.6828]
_ce... |
mp-1102652 | EuMgSi | data_[Eu4Mg4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5632]
_cell_length_b [4.5192]
_cell_length_c [8.4234]
_ce... |
mp-1630 | Zr3Hg | data_[Zr6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.6099]
_cell_length_b [5.6099]
_cell_length_c [5.6099]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1220637 | Nb3AlSnMo3 | data_[Nb9Al3Sn3Mo9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2957]
_cell_length_b [7.295... |
mp-1184141 | Dy3Lu | data_[Dy6Lu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9750]
_cell_length_b [4.9750]
_cell_length_c [9.9891]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183652 | CdHg3 | data_[Cd2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7475]
_cell_length_b [6.7475]
_cell_length_c [5.4244]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225506 | ErAgSn2 | data_[Er1Ag1Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6227]
_cell_length_b [4.6227]
_cell_length_c [4.4235]
_... |
mp-1189978 | Hf5GaSn3 | data_[Hf10Ga2Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.6615]
_cell_length_b [8.6615]
_cell_length_c [5.8294... |
mp-1173585 | NaNO3 | data_[Na4N4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1847]
_cell_length_b [6.4904]
_cell_length_c [8.9322]
_cell_an... |
mp-756513 | Mn3CuO8 | data_[Mn9Cu3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8314]
_cell_length_b [5.8314]
_cell_length_c [14.3678]
_ce... |
mp-573579 | Cs | data_[Cs16]
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 [Cmce]
_cell_length_a [17.3702]
_cell_length_b [10.4369]
_cell_length_c [10.4418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1218114 | SrNdNiRuO6 | data_[Sr2Nd2Ni2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-1220902 | NaSr2LaTi4O12 | data_[Na2Sr4La2Ti8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_leng... |
mp-11631 | Dy2Al6Si4Au | data_[Dy6Al18Si12Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2083]
_cell_length_b [4... |
mp-694891 | KRb2Mo(OF)3 | data_[K2Rb4Mo2O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a ... |
mp-35822 | Li4SiO4 | data_[Li8Si2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2324]
_cell_length_b [5.3890]
_cell_length_c [6.1431]
_cell_a... |
mp-29227 | TlV5S8 | data_[Tl2V10S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [17.5740]
_cell_length_b [3.2621]
_cell_length_c [8.5517]
_cell_... |
mp-1216906 | TiInPd2 | data_[Ti1In1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2746]
_cell_length_b [3.2746]
_cell_length_c [6.4312]
_... |
mp-1184144 | Er2RuPt | data_[Er8Ru4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8365]
_cell_length_b [6.8365]
_cell_length_c [6.8365]
_c... |
mp-2502 | TmCd | data_[Tm1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7030]
_cell_length_b [3.7030]
_cell_length_c [3.7030]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215434 | ZnSnAs2 | data_[Zn1Sn1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2096]
_cell_length_b [4.2096]
_cell_length_c [5.9200]
_c... |
mp-1223722 | InSn3 | data_[In1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3671]
_cell_length_b [3.3671]
_cell_length_c [11.2248]
_cell_angle_alpha [90.0000]
_cell... |
mp-985300 | AcEr3 | data_[Ac1Er3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1404]
_cell_length_b [5.1404]
_cell_length_c [5.1404]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3648 | Zn2CuAu | data_[Zn8Cu4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1827]
_cell_length_b [6.1827]
_cell_length_c [6.1827]
_c... |
mp-754314 | Li4Cr3NiO8 | data_[Li12Cr9Ni3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9005]
_cell_length_b [5.9... |
mp-753984 | LiMnCoO4 | data_[Li4Mn4Co4O16]
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 [Imma]
_cell_length_a [5.7303]
_cell_length_b [5.78... |
mp-770849 | VCrO3 | data_[V4Cr4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1181]
_cell_length_b [5.5004]
_cell_length_c [8.8292]
_cell_an... |
mp-1186937 | Sc2CdHg | data_[Sc8Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0755]
_cell_length_b [7.0755]
_cell_length_c [7.0755]
_c... |
mp-981377 | V2ReTc | data_[V8Re4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0678]
_cell_length_b [6.0678]
_cell_length_c [6.0678]
_cel... |
mp-20078 | Pb2O3 | data_[Pb8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6995]
_cell_length_b [5.7624]
_cell_length_c [7.9743]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1205388 | Rb2Pd3S4 | data_[Rb16Pd24S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.2498]
_cell_length_b [10.9607]
_cell_length_c [27.3827]
... |
mp-1183958 | CsK3 | data_[Cs2K6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.7666]
_cell_length_b [6.7666]
_cell_length_c [14.4845]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1208588 | Tb(GaCo2)4 | data_[Tb2Ga8Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3706]
_cell_length_b [8.3706]
_cell_length_c [4.9408]
... |
mp-35269 | Ca4Sb2S | data_[Ca16Sb8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.1728]
_cell_length_b [9.1728]
_cell_length_c [9.5403]
_ce... |
mp-756834 | HoCrO3 | data_[Ho4Cr4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5975]
_cell_length_b [7.6430]
_cell_length_c [5.2897]
_cel... |
mp-759555 | V4O7F5 | data_[V4O7F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1854]
_cell_length_b [5.3515]
_cell_length_c [7.4060]
_cell_angle... |
mp-626143 | Mg(HO)2 | data_[Mg2H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5154]
_cell_length_b [3.1702]
_cell_length_c [4.8903]
_cell_ang... |
mp-1080062 | BaGdCo2O5 | data_[Ba1Gd1Co2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8689]
_cell_length_b [3.8... |
mp-13379 | DyZnRh | data_[Dy4Zn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9396]
_cell_length_b [4.0509]
_cell_length_c [8.1366]
_ce... |
mp-10509 | BaGaBO3F2 | data_[Ba2Ga2B2O6F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a ... |
mp-559976 | Ta2CS2 | data_[Ta2C1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2899]
_cell_length_b [3.2899]
_cell_length_c [8.9361]
_cell_... |
mp-20044 | La(NiAs)2 | data_[La2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2710]
_cell_length_b [4.2710]
_cell_length_c [9.5428]
_... |
mp-9668 | Ba3TiS5 | data_[Ba12Ti4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5599]
_cell_length_b [8.5599]
_cell_length_c [13.9544]
... |
mp-6297 | CaCu(GeO3)2 | data_[Ca4Cu4Ge8O24]
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
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 [10.3908]
_cell_length_b [9.1... |
mp-1218330 | SrCaS2 | data_[Sr1Ca1S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1741]
_cell_length_b [4.1741]
_cell_length_c [5.9009]
_ce... |
mp-864897 | Zr2CuOs | data_[Zr8Cu4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
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 [6.5721]
_cell_length_b [6.5721]
_cell_length_c [6.5721]
_c... |
mp-1078593 | LaInNi | data_[La3In3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6389]
_cell_length_b [7.6389]
_cell_length_c [4.0414]
_c... |
mp-972877 | Sc2AlIr | data_[Sc8Al4Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6021]
_cell_length_b [6.6021]
_cell_length_c [6.6021]
_c... |
mp-1185423 | LiZrPd2 | data_[Li4Zr4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4469]
_cell_length_b [6.4469]
_cell_length_c [6.4469]
_c... |
mp-1174811 | Li6Mn3CoO10 | data_[Li12Mn6Co2O20]
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 [C2]
_cell_length_a [5.2001]
_cell_length_b [14.29... |
mp-1182809 | 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 [5.3488]
_cell_length_b [9.0933]
_cell_length_c [9.4287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-1221101 | NaBiSe2 | data_[Na3Bi3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2309]
_cell_length_b [4.2309]
_cell_length_c [21.3026]
_c... |
mp-4962 | CoSbS | data_[Co2Sb2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.6443]
_cell_length_b [4.8548]
_cell_length_c [5.8415]
_ce... |
mp-10401 | Tl2SnF6 | data_[Tl2Sn1F6]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1826]
_cell_length_b [6.1826]
_cell_length_c [4.9653]
_cel... |
mp-1216539 | Tm(SiPt)2 | data_[Tm2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1644]
_cell_length_b [4.1644]
_cell_length_c [10.1451]
... |
mp-1220834 | Nb2Bi3Pb2ClO11 | data_[Nb2Bi3Pb2Cl1O11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_leng... |
mp-1112931 | Cs2YAgI6 | data_[Cs8Y4Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1957]
_cell_length_b [12.1... |
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