Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-756439 | SrLaBr5 | data_[Sr2La2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9644]
_cell_length_b [4.4117]
_cell_length_c [13.9659]... |
mp-1310084 | Co2OF3 | data_[Co8O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4749]
_cell_length_b [6.8496]
_cell_length_c [6.2036]
_cell_an... |
mp-2361 | Hf5Al3 | data_[Hf10Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.1132]
_cell_length_b [8.1132]
_cell_length_c [5.7085]
_cell_angle_alpha [90.0000]
_c... |
mp-754130 | LiMn4O8 | data_[Li3Mn12O24]
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 [R-3m]
_cell_length_a [5.7450]
_cell_length_b [5.7450]
_cell_length_c [15.2586]
_c... |
mp-14444 | Hf(PS3)2 | data_[Hf8P16S48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.2368]
_cell_length_b [11.6628]
_cell_length_c [21.8210]
_ce... |
mp-755175 | Al2O3 | data_[Al8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [4.8465]
_cell_length_b [4.8465]
_cell_length_c [9.0859]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-13816 | Cs2NaErF6 | data_[Cs8Na4Er4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1601]
_cell_length_b [9.1... |
mp-1217934 | TaTiFe4 | data_[Ta2Ti2Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7224]
_cell_length_b [4.7224]
_cell_length_c [7.8120]
_c... |
mp-1102374 | PuPb2 | data_[Pu8Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.8059]
_cell_length_b [4.8059]
_cell_length_c [29.9870]
_cell_angle_alpha [90.0000]
_... |
mp-989634 | CaTcN3 | data_[Ca8Tc8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9857]
_cell_length_b [9.9143]
_cell_length_c [6.2394]
_ce... |
mp-34987 | Sm(DyS2)2 | data_[Sm4Dy8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.3836]
_cell_length_b [8.3836]
_cell_length_c [8.3319]
_ce... |
mp-1223022 | LaU3Al8 | data_[La3U9Al24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5555]
_cell_length_b [5.5555]
_cell_length_c [26.5330]
_cel... |
mp-18967 | Ba2CoMoO6 | data_[Ba8Co4Mo4O24]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2107]
_cell_length_b [8.2... |
mp-755936 | LuWO4 | data_[Lu4W4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.1796]
_cell_length_b [5.1796]
_cell_length_c [10.8348]
_ce... |
mp-560645 | Ca2NbInO6 | data_[Ca4Nb2In2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5772]
_cell_length_b [5.... |
mp-867131 | SmMgCd2 | data_[Sm4Mg4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3017]
_cell_length_b [7.3017]
_cell_length_c [7.3017]
_c... |
mp-1079768 | Ti2HPd | data_[Ti4H2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8951]
_cell_length_b [2.8951]
_cell_length_c [11.9343]
_c... |
mp-1223515 | KCu2H3(SO5)2 | data_[K2Cu4H6S4O20]
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
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 [Cm]
_cell_length_a [9.10... |
mp-1114699 | Rb2LiCoF6 | data_[Rb8Li4Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2381]
_cell_length_b [8.2... |
mvc-4372 | Ca2TaCoO6 | data_[Ca4Ta2Co2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4782]
_cell_length_b [7.... |
mp-570181 | Np3Se4 | data_[Np12Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.4014]
_cell_length_b [8.4014]
_cell_length_c [8.4014]
_cell_angle_alpha [90.0000]
_cel... |
mp-1225265 | DyErAl4 | data_[Dy4Er4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8409]
_cell_length_b [7.8409]
_cell_length_c [7.8409]
_... |
mp-1522371 | KSrLaWO6 | data_[K4Sr4La4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-12940 | HoIn5Rh | data_[Ho1In5Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6568]
_cell_length_b [4.6568]
_cell_length_c [7.5509]
_... |
mp-1068786 | InCo3N | data_[In1Co3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8527]
_cell_length_b [3.8527]
_cell_length_c [3.8527]
_cel... |
mp-20520 | U3Te4 | data_[U12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.2822]
_cell_length_b [9.2822]
_cell_length_c [9.2822]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217144 | Ti4AlGe7 | data_[Ti8Al2Ge14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.6994]
_cell_length_b [3.6994]
_cell_length_c [28.3495]
... |
mp-755371 | Li2MnCuO4 | data_[Li4Mn2Cu2O8]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1617]
_cell_length_b [4.16... |
mp-1025077 | TbSe2 | data_[Tb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0856]
_cell_length_b [4.0856]
_cell_length_c [8.3867]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078739 | YAgSb2 | data_[Y2Ag2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3455]
_cell_length_b [4.3455]
_cell_length_c [10.5506]
_c... |
mp-10112 | LaB2Ir3 | data_[La1B2Ir3]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5942]
_cell_length_b [5.5942]
_cell_length_c [3.1201]
_ce... |
mp-1229158 | Ag(Te5Au2)2 | data_[Ag2Te20Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3838]
_cell_length_b [4.2870]
_cell_length_c [25.7030]
_... |
mp-1205985 | Zr6Te2Pt | data_[Zr6Te2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8010]
_cell_length_b [7.8010]
_cell_length_c [3.7896]
_c... |
mp-31100 | CeIr3 | data_[Ce9Ir27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3273]
_cell_length_b [5.3273]
_cell_length_c [26.5534]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103933 | Li(MoSe)3 | data_[Li2Mo6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.9853]
_cell_length_b [8.9853]
_cell_length_c [4.5264]
_... |
mp-1188476 | Ho3Pt | data_[Ho12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9939]
_cell_length_b [9.5268]
_cell_length_c [6.4636]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23268 | NaI | data_[Na4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5320]
_cell_length_b [6.5320]
_cell_length_c [6.5320]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1095422 | YbBPt2 | data_[Yb3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.4707]
_cell_length_b [5.4707]
_cell_length_c [7.5523]
_ce... |
mp-754271 | Mn3(OF2)2 | data_[Mn6O4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7954]
_cell_length_b [4.6836]
_cell_length_c [10.7487]
_cel... |
mp-27175 | InOF | data_[In16O16F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.1703]
_cell_length_b [8.5160]
_cell_length_c [10.3667]
_ce... |
mp-996977 | AgAuO2 | data_[Ag4Au4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_122]
_cell_length_a [4.7973]
_cell_length_b [4.7973]
_cell_length_c [10.8650]
_c... |
mp-866155 | TiAlRu2 | data_[Ti4Al4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0985]
_cell_length_b [6.0985]
_cell_length_c [6.0985]
_c... |
mp-1079357 | TbAlCu | data_[Tb3Al3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0212]
_cell_length_b [7.0212]
_cell_length_c [4.0536]
_c... |
mp-1189101 | La3Os | data_[La12Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4914]
_cell_length_b [10.1166]
_cell_length_c [6.6181]
_cell_angle_alpha [90.0000]
_cell... |
mp-1187470 | TiCrTc2 | data_[Ti4Cr4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0800]
_cell_length_b [6.0800]
_cell_length_c [6.0800]
_c... |
mp-1173896 | Li2MnCoO4 | data_[Li8Mn4Co4O16]
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/m]
_cell_length_a [9.8730]
_cell_length_b [2.87... |
mp-10950 | Sr2Cu(PO4)2 | data_[Sr4Cu2P4O16]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6515]
_cell_length_b [5.132... |
mp-1185922 | MgIn5 | data_[Mg1In5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.0217]
_cell_length_b [6.0217]
_cell_length_c [5.0772]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218980 | SmGaSi | data_[Sm4Ga4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1696]
_cell_length_b [4.1696]
_cell_length_c [14.2777]
... |
mp-549720 | NbI2O | data_[Nb4I8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [16.0800]
_cell_length_b [3.9727]
_cell_length_c [7.6045]
_cell_an... |
mp-684969 | Sc2S3 | data_[Sc8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4081]
_cell_length_b [11.0951]
_cell_length_c [6.3788]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1100342 | Ca2Sn3S8 | data_[Ca4Sn6S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9403]
_cell_length_b [7.5976]
_cell_length_c [6.5327]
_ce... |
mp-7940 | KNbSe2 | data_[K2Nb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6370]
_cell_length_b [3.6370]
_cell_length_c [16.3684]
... |
mp-1176705 | LiFeF3 | data_[Li4Fe4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2845]
_cell_length_b [10.2645]
_cell_length_c [3.2265]
_ce... |
mp-652608 | UWC2 | data_[U4W4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6314]
_cell_length_b [3.2304]
_cell_length_c [11.0739]
_cell_an... |
mp-1205889 | Yb2InAu2 | data_[Yb4In2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9126]
_cell_length_b [7.9126]
_cell_length_c [3.8496]
_... |
mp-862796 | Pu2S3 | data_[Pu12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.9823]
_cell_length_b [6.9823]
_cell_length_c [18.3184]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1228156 | Ba2(AlAg)5 | data_[Ba4Al10Ag10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.5781]
_cell_length_b [11.1330]
_cell_length_c [8.8091]
... |
mp-19115 | CaFeO3 | data_[Ca4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4467]
_cell_length_b [7.6409]
_cell_length_c [5.3855]
_cel... |
mp-2363 | HfMo2 | data_[Hf8Mo16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5850]
_cell_length_b [7.5850]
_cell_length_c [7.5850]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079833 | SmCoSb2 | data_[Sm2Co2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3649]
_cell_length_b [4.3649]
_cell_length_c [9.6725]
_... |
mp-20041 | Sr2EuCu3(PbO4)2 | data_[Sr2Eu1Cu3Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-1217818 | TaVB4 | data_[Ta1V1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0610]
_cell_length_b [3.0610]
_cell_length_c [6.3300]
_cell... |
mp-16770 | Ca2Ag7 | data_[Ca8Ag28]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.6387]
_cell_length_b [5.5771]
_cell_length_c [14.2604]
_cell_angle_alpha [90.0000]
_cell... |
mp-1106158 | DyGePd2 | data_[Dy4Ge4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3677]
_cell_length_b [7.1416]
_cell_length_c [5.6408]
_ce... |
mp-1205807 | BaSr(CoO3)2 | data_[Ba1Sr1Co2O6]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.6281]
_cell_length_b [5.62... |
mp-570744 | Si3As4 | data_[Si3As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.3696]
_cell_length_b [5.3696]
_cell_length_c [5.3696]
_cell_angle_alpha [90.0000]
_cell_... |
mp-15709 | LuCo3B2 | data_[Lu1Co3B2]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9393]
_cell_length_b [4.9393]
_cell_length_c [3.0230]
_ce... |
mp-1104800 | Sm3Pt4 | data_[Sm18Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.5387]
_cell_length_b [13.5387]
_cell_length_c [5.7899]
_cell_angle_alpha [90.0000]
_cel... |
mp-34371 | AgSbS2 | data_[Ag4Sb4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.4928]
_cell_length_b [5.4928]
_cell_length_c [11.4285]
... |
mp-1539446 | Cs2PtCl4 | data_[Cs2Pt1Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.5395]
_cell_length_b [7.5395]
_cell_length_c [4.8325]
_... |
mp-1225009 | Fe3Ni2 | data_[Fe6Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.5018]
_cell_length_b [2.5018]
_cell_length_c [18.1768]
_cell_angle_alpha [90.0000]
_cel... |
mp-862884 | CaPmPd2 | data_[Ca4Pm4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1365]
_cell_length_b [7.1365]
_cell_length_c [7.1365]
_c... |
mp-38564 | Ce(Mo3S4)2 | data_[Ce3Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1502]
_cell_length_b [9.1502]
_cell_length_c [11.5458]
_ce... |
mp-1696 | CdPd | data_[Cd1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0607]
_cell_length_b [3.0607]
_cell_length_c [3.7632]
_cell_angle_alpha [90.0000]
_cell... |
mp-755590 | Li2Ni3BiO8 | data_[Li6Ni9Bi3O24]
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 [5.8975]
_cell_length_b [5.89... |
mp-475 | SnP | data_[Sn4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5923]
_cell_length_b [5.5923]
_cell_length_c [5.5923]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1112911 | Cs2HgAsBr6 | data_[Cs8Hg4As4Br24]
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
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3362]
_cell_length_b [... |
mp-20201 | NdZnSn | data_[Nd4Zn4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5927]
_cell_length_b [4.5927]
_cell_length_c [16.4124... |
mp-985442 | AgAsSe | data_[Ag4As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5287]
_cell_length_b [4.0564]
_cell_length_c [6.2661]
_c... |
mp-1104168 | NaEuAsS4 | data_[Na4Eu4As4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [10.0148]
_cell_length_b [10.... |
mp-1277428 | VO2 | data_[V6O12]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9951]
_cell_length_b [5.0193]
_cell_length_c [9.1506]
_cell_angle_alpha [92.2197]
_cell_angle... |
mp-1094178 | La5Mg | data_[La10Mg2]
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 [Cm]
_cell_length_a [13.0493]
_cell_length_b [3.7956]
_cell_length_c [8.8848]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1521115 | BaSrCeZrO6 | data_[Ba4Sr4Ce4Zr4O24]
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
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-973286 | LiLu2Pd | data_[Li4Lu8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9603]
_cell_length_b [6.9603]
_cell_length_c [6.9603]
_c... |
mp-1186016 | Mo3Pt | data_[Mo3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9740]
_cell_length_b [3.9740]
_cell_length_c [3.9740]
_cell_angle_alpha [90.0000]
_cell_... |
mp-570436 | CaIr2 | data_[Ca8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5929]
_cell_length_b [7.5929]
_cell_length_c [7.5929]
_cell_angle_alpha [90.0000]
_cell... |
mp-1190297 | DyGa3 | data_[Dy12Ga36]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2165]
_cell_length_b [6.2165]
_cell_length_c [27.9086]
_cell_angle_alpha [90.0000]
_cel... |
mp-9069 | K2NaAlAs2 | data_[K8Na4Al4As8]
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
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.8099]
_cell_length_b [15.12... |
mp-1225622 | ErAlFe | data_[Er8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5235]
_cell_length_b [5.3679]
_cell_length_c [9.3404]
_ce... |
mp-643712 | Rb3MgH5 | data_[Rb12Mg4H20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0247]
_cell_length_b [8.0247]
_cell_length_c [12.3238]
... |
mp-6562 | Ba2CuHgO4 | data_[Ba2Cu1Hg1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9337]
_cell_length_b [3.9... |
mp-569819 | Th7Os3 | data_[Th14Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0339]
_cell_length_b [10.0339]
_cell_length_c [6.3476]
_cell_angle_alpha [90.0000]
_c... |
mp-9406 | Li2La2Ti3O10 | data_[Li4La4Ti6O20]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8769]
_cell_length_b [3.... |
mp-864934 | MgAg3 | data_[Mg2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8806]
_cell_length_b [5.8806]
_cell_length_c [4.8330]
_cell_angle_alpha [90.0000]
_ce... |
mp-26728 | VP2O7 | data_[V2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2016]
_cell_length_b [6.7344]
_cell_length_c [8.2084]
_cell_ang... |
mp-1224048 | InAgSnS4 | data_[In4Ag4Sn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7181]
_cell_length_b [7.75... |
mp-1216665 | Tm3Ga2Ge3 | data_[Tm12Ga8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [7.7769]
_cell_length_b [7.7769]
_cell_length_c [10.8892]
... |
mp-1228036 | Ba4GaSn3 | data_[Ba4Ga1Sn3]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7232]
_cell_length_b [5.2909]
_cell_length_c [12.7388]
_c... |
mp-1223818 | K2NaCl3 | data_[K2Na1Cl3]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3404]
_cell_length_b [4.3404]
_cell_length_c [10.7417]
_ce... |
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