Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1104453 | Ba2Cd2As3 | data_[Ba8Cd8As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4745]
_cell_length_b [4.6291]
_cell_length_c [12.9749]
... |
mp-977574 | HoSbPd2 | data_[Ho4Sb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8037]
_cell_length_b [6.8037]
_cell_length_c [6.8037]
_c... |
mp-999178 | SmFeC2 | data_[Sm2Fe2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8171]
_cell_length_b [4.5633]
_cell_length_c [5.9530]
_cell... |
mvc-12966 | Mg(MnS2)2 | data_[Mg8Mn16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.3094]
_cell_length_b [10.3094]
_cell_length_c [10.3094]... |
mp-1020622 | SrZrO3 | data_[Sr2Zr2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.8426]
_cell_length_b [5.8426]
_cell_length_c [4.2250]
_ce... |
mp-1218759 | Sr2NdTlCu2O7 | data_[Sr2Nd1Tl1Cu2O7]
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
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_... |
mp-22053 | FeCu2GeS4 | data_[Fe2Cu4Ge2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.3387]
_cell_length_b [5.33... |
mp-1080547 | CeMgAg | data_[Ce3Mg3Ag3]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8858]
_cell_length_b [7.8858]
_cell_length_c [4.3634]
_c... |
mp-3071 | Nd3Ni13B2 | data_[Nd3Ni13B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [5.0231]
_cell_length_b [5.0231]
_cell_length_c [10.9209]
_... |
mp-1078054 | Sn2Rh3S2 | data_[Sn6Rh9S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7250]
_cell_length_b [5.7250]
_cell_length_c [13.5000]
_cel... |
mp-23849 | Li2H2SO5 | data_[Li4H4S2O10]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.5559]
_cell_length_b [4.9040]
... |
mp-11022 | ScAgO2 | data_[Sc2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2412]
_cell_length_b [3.2412]
_cell_length_c [12.5226]
... |
mp-1221217 | Na3LiV4O12 | data_[Na6Li2V8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6012]
_cell_length_b [9.4228]... |
mp-573390 | Np2Si4Mo3 | data_[Np4Si8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8702]
_cell_length_b [6.8885]
_cell_length_c [6.7809]
_... |
mp-765663 | VF3 | data_[V4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8699]
_cell_length_b [4.8699]
_cell_length_c [9.0314]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1087228 | Er2NiAs2 | data_[Er4Ni2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0631]
_cell_length_b [4.0631]
_cell_length_c [14.1682... |
mp-1186775 | SrYb | data_[Sr1Yb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1352]
_cell_length_b [4.1352]
_cell_length_c [6.5345]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227495 | BaSrPdF6 | data_[Ba4Sr4Pd4F24]
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
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [6.0659]
_cell_length_b [6.09... |
mp-767395 | Li3CuSbO5 | data_[Li6Cu2Sb2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2023]
_cell_length_b [5.4629... |
mp-1223901 | InBi3 | data_[In2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [3.3031]
_cell_length_b [8.9772]
_cell_length_c [8.9065]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20462 | U3Co4Ge7 | data_[U6Co8Ge14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
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 [4.1381]
_cell_length_b [4.1381]
_cell_length_c [27.1559]
_... |
mp-1218965 | SmUN2 | data_[Sm1U1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5119]
_cell_length_b [3.5119]
_cell_length_c [4.9288]
_cell... |
mp-1225353 | GdCo2Ni2B | data_[Gd4Co8Ni8B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.0209]
_cell_length_b [8.718... |
mp-1072856 | PrZn2 | data_[Pr4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.6424]
_cell_length_b [7.5152]
_cell_length_c [7.5527]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1188093 | ZrTl2PbS4 | data_[Zr4Tl8Pb4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6421]
_cell_length_b [8.3... |
mp-1187921 | ZnRu2W | data_[Zn4Ru8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1400]
_cell_length_b [6.1400]
_cell_length_c [6.1400]
_cel... |
mp-1225196 | EuZnGa | data_[Eu4Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7609]
_cell_length_b [4.6358]
_cell_length_c [7.5977]
_c... |
mp-1103536 | Y3Zn11 | data_[Y6Zn22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4332]
_cell_length_b [8.8314]
_cell_length_c [12.9440]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1181888 | CrH12I(N2Cl)2 | data_[Cr2H24I2N8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [... |
mp-1120746 | Te2Mo | data_[Te4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3851]
_cell_length_b [3.4599]
_cell_length_c [36.4614]
_cell_angle_alpha [90.0000]
_cel... |
mp-20434 | GdSnAu | data_[Gd2Sn2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7420]
_cell_length_b [4.7420]
_cell_length_c [7.5109]
_... |
mp-853240 | LiCoO2 | data_[Li16Co16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2157]
_cell_length_b [8.2157]
_cell_length_c [8.2157]
_... |
mp-569931 | Pr(NiP)2 | data_[Pr2Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9654]
_cell_length_b [3.9654]
_cell_length_c [9.6042]
_ce... |
mp-1222564 | LiCoCuF6 | data_[Li2Co2Cu2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.6133]
_cell_length_b [4.... |
mp-28928 | DySBr | data_[Dy2S2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.0786]
_cell_length_b [5.3627]
_cell_length_c [9.1125]
_cell... |
mp-10847 | NiSbSe | data_[Ni4Sb4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.1215]
_cell_length_b [6.1215]
_cell_length_c [6.1215]
_c... |
mp-1228959 | CsPr2Ti2NbO10 | data_[Cs2Pr4Ti4Nb2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pr 1.1300 1.8500 1.0600
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a... |
mp-1185777 | Mg2Sc | data_[Mg8Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9255]
_cell_length_b [3.2372]
_cell_length_c [7.5990]
_cell_angle_alpha [90.0000]
_cell_... |
mp-4474 | V4GaS8 | data_[V16Ga4S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.7296]
_cell_length_b [9.7296]
_cell_length_c [9.7296]
_cel... |
mp-754188 | Li3CrF6 | data_[Li6Cr2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.8353]
_cell_length_b [4.8368]
_cell_length_c [10.0976]
_cell... |
mp-29260 | Ti(SeO3)2 | data_[Ti2Se4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.8760]
_cell_length_b [8.4466]
_cell_length_c [7.0091]
_c... |
mp-866227 | CaNdRh2 | data_[Ca4Nd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9739]
_cell_length_b [6.9739]
_cell_length_c [6.9739]
_c... |
mp-16648 | LiSn4Rh | data_[Li4Sn16Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7044]
_cell_length_b [6.7044]
_cell_length_c [11.5156]... |
mp-1211302 | KPt3O4 | data_[K2Pt6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.8613]
_cell_length_b [5.8613]
_cell_length_c [5.8613]
_cell_... |
mp-1216598 | Tm2CuO4 | data_[Tm8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.4302]
_cell_length_b [11.5290]
_cell_length_c [5.4432]
_ce... |
mp-541032 | Te7As5I | data_[Te14As10I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.9148]
_cell_length_b [4.0323]
_cell_length_c [14.5723]
_ce... |
mp-983427 | PmDyHg2 | data_[Pm4Dy4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5519]
_cell_length_b [7.5519]
_cell_length_c [7.5519]
_c... |
mp-292 | V3As | data_[V6As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.7358]
_cell_length_b [4.7358]
_cell_length_c [4.7358]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-33880 | Sr(GaTe2)2 | data_[Sr2Ga4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [8.4032]
_cell_length_b [8.4032]
_cell_length_c [6.7521]
_ce... |
mp-1208520 | Tb6InCo2 | data_[Tb24In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4415]
_cell_length_b [9.7098]
_cell_length_c [10.0025]
_... |
mp-867315 | CaGdHg2 | data_[Ca4Gd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5122]
_cell_length_b [7.5122]
_cell_length_c [7.5122]
_c... |
mp-1114366 | Rb2NaNdF6 | data_[Rb8Na4Nd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1997]
_cell_length_b [9.1... |
mp-1225293 | DyAlCo4 | data_[Dy2Al2Co8]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9083]
_cell_length_b [8.6826]
_cell_length_c [4.0454]
_ce... |
mp-1113492 | Cs3YF6 | data_[Cs12Y4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0826]
_cell_length_b [10.0826]
_cell_length_c [10.0826]
_... |
mp-1068742 | SrZrO3 | data_[Sr1Zr1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1769]
_cell_length_b [4.1769]
_cell_length_c [4.2750]
_cell... |
mp-1287641 | V3Zn2O8 | data_[V6Zn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0452]
_cell_length_b [5.9479]
_cell_length_c [4.9961]
_cell... |
mp-1215949 | YGePt | data_[Y1Ge1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4124]
_cell_length_b [4.4124]
_cell_length_c [3.5690]
_cel... |
mp-978911 | TbYHg2 | data_[Tb4Y4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4826]
_cell_length_b [7.4826]
_cell_length_c [7.4826]
_cel... |
mp-1183155 | Al2NiOs | data_[Al8Ni4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9282]
_cell_length_b [5.9282]
_cell_length_c [5.9282]
_c... |
mp-20309 | EuPb3 | data_[Eu1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9697]
_cell_length_b [4.9697]
_cell_length_c [4.9697]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22493 | YInAu2 | data_[Y4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0272]
_cell_length_b [7.0272]
_cell_length_c [7.0272]
_cel... |
mp-1252764 | AlF3 | data_[Al4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3227]
_cell_length_b [10.6162]
_cell_length_c [3.6390]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1103351 | Na4Mg(SiSe3)2 | data_[Na8Mg2Si4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7481]
_cell_length_b [11.9... |
mp-754060 | Li7BiO6 | data_[Li21Bi3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7123]
_cell_length_b [5.7123]
_cell_length_c [15.3341]
_cel... |
mp-1080026 | Ce(SnPd)2 | data_[Ce2Sn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6187]
_cell_length_b [4.6187]
_cell_length_c [10.5630]
... |
mp-1183066 | Ac2ZnAu | data_[Ac8Zn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8378]
_cell_length_b [7.8378]
_cell_length_c [7.8378]
_c... |
mp-1103252 | ZnPd2 | data_[Zn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4077]
_cell_length_b [4.2272]
_cell_length_c [7.8382]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20975 | CeIn5Ir | data_[Ce1In5Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7242]
_cell_length_b [4.7242]
_cell_length_c [7.5758]
_... |
mp-1218768 | Sr2LiLaTi4O12 | data_[Sr4Li2La2Ti8O24]
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
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-1229064 | AgSbPbS3 | data_[Ag2Sb2Pb2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0371]
_cell_length_b [5.738... |
mp-29618 | NiP3W2 | data_[Ni4P12W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6728]
_cell_length_b [3.2565]
_cell_length_c [8.5399]
_cell... |
mp-1078209 | LiLa2FeO6 | data_[Li3La6Fe3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [R-3]
_cell_length_a [5.5396]
_cell_length_b [5.539... |
mp-1079489 | Zr2InAu2 | data_[Zr4In2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6467]
_cell_length_b [7.6467]
_cell_length_c [3.6076]
_... |
mp-1272149 | NaNiO2 | data_[Na4Ni4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0390]
_cell_length_b [5.0568]
_cell_length_c [11.0184]
_cell... |
mp-862290 | LiFeRh2 | data_[Li4Fe4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9373]
_cell_length_b [5.9373]
_cell_length_c [5.9373]
_c... |
mp-1891 | SmAl4 | data_[Sm2Al8]
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 [I4/mmm]
_cell_length_a [4.2310]
_cell_length_b [4.2310]
_cell_length_c [11.4300]
_cell_angle_alpha [90.0000]
_cel... |
mp-1227993 | BaGa2SiS6 | data_[Ba1Ga2Si1S6]
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
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2214]
_cell_length_b [6.3315]... |
mp-22427 | BaSr(FeO2)4 | data_[Ba1Sr1Fe4O8]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.5641]
_cell_length_b [5.56... |
mp-1221650 | MnCdTe2 | data_[Mn3Cd3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6020]
_cell_length_b [4.6020]
_cell_length_c [22.3169]
_ce... |
mp-558689 | Ba2PrIrO6 | data_[Ba4Pr2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [6.0886]
_cell_length_b [6.... |
mp-754429 | CaTm2O4 | data_[Ca4Tm8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2753]
_cell_length_b [10.8940]
_cell_length_c [10.8427]
_c... |
mp-546862 | HgPb2(ClO)2 | data_[Hg2Pb4Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
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 [C2/m]
_cell_length_a [11.9839]
_cell_length_b [3.99... |
mp-775015 | Li2Cr3NiO8 | data_[Li6Cr9Ni3O24]
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 [R3m]
_cell_length_a [5.8495]
_cell_length_b [5.849... |
mp-510376 | CeBRh3 | data_[Ce1B1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2442]
_cell_length_b [4.2442]
_cell_length_c [4.2442]
_cel... |
mp-1185078 | LaYbPd2 | data_[La4Yb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Yb 1.1000 1.7500 1.0840
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1712]
_cell_length_b [7.1712]
_cell_length_c [7.1712]
_c... |
mp-1226664 | CeGaNi4 | data_[Ce1Ga1Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0898]
_cell_length_b [5.0898]
_cell_length_c [3.8858]
_c... |
mp-643570 | NiH2SO5 | data_[Ni4H8S4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8555]
_cell_length_b [7.6526]
... |
mp-1183342 | Ba3Ca | data_[Ba6Ca2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1024]
_cell_length_b [6.1024]
_cell_length_c [12.7117]
_cell_angle_alpha [90.0000]
_cel... |
mp-19019 | NiMoO4 | data_[Ni2Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.6574]
_cell_length_b [5.7512]
_cell_length_c [4.9661]
_cell... |
mp-1181563 | Eu2Mn5Al12 | data_[Eu6Mn15Al36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0994]
_cell_length_b [9.0994]
_cell_length_c [13.1083]
... |
mp-16507 | LuAl | data_[Lu8Al8]
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
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.7638]
_cell_length_b [11.2054]
_cell_length_c [5.5238]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079936 | TbCoGe2 | data_[Tb4Co4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1687]
_cell_length_b [16.4876]
_cell_length_c [4.1879]
_c... |
mp-570882 | CdI2 | data_[Cd6I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3323]
_cell_length_b [4.3323]
_cell_length_c [44.4431]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1213950 | CaAgAsO4 | data_[Ca4Ag4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9466]
_cell_length_b [9.52... |
mp-864786 | Yb2PdPt | data_[Yb8Pd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8744]
_cell_length_b [6.8744]
_cell_length_c [6.8744]
_c... |
mp-1100825 | Zn3Mo3O8 | data_[Zn6Mo6O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6138]
_cell_length_b [6.3703]
_cell_length_c [6.2344]
_ce... |
mp-1186655 | PmTmRu2 | data_[Pm4Tm4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8441]
_cell_length_b [6.8441]
_cell_length_c [6.8441]
_c... |
mp-1217026 | TiB4Mo | data_[Ti1B4Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0531]
_cell_length_b [3.0531]
_cell_length_c [6.4506]
_ce... |
mp-1228822 | AlV6Sn | data_[Al1V6Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.8955]
_cell_length_b [4.8955]
_cell_length_c [4.8955]
_cell... |
mp-1106406 | Ce2SnS5 | data_[Ce4Sn2S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.6860]
_cell_length_b [11.1991]
_cell_length_c [4.0120]
_ce... |
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