Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-22749 | Mn5C2 | data_[Mn20C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6243]
_cell_length_b [4.4745]
_cell_length_c [4.9974]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-7571 | KNbF6 | data_[K2Nb2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.3793]
_cell_length_b [5.3793]
_cell_length_c [10.0892]
_... |
mp-1212912 | Dy5Ni2Bi | data_[Dy20Ni8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6623]
_cell_length_b [7.6623]
_cell_length_c [13.5871]... |
mp-505534 | PuB6 | data_[Pu1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1118]
_cell_length_b [4.1118]
_cell_length_c [4.1118]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1212284 | Ho3Co6Sn5 | data_[Ho6Co12Sn10]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3195]
_cell_length_b [9.5783]
_cell_length_c [12.2884]
... |
mp-977014 | H5PbCI3N2 | data_[H5Pb1C1I3N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [6.4... |
mp-20568 | LaAgGe | data_[La2Ag2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6050]
_cell_length_b [4.6050]
_cell_length_c [7.9721]
_... |
mp-1102067 | PuSn2 | data_[Pu8Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.6276]
_cell_length_b [4.6276]
_cell_length_c [28.8629]
_cell_angle_alpha [90.0000]
_... |
mp-754263 | Ho2CuO4 | data_[Ho8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [11.8316]
_cell_length_b [5.4836]
_cell_length_c [5.4787]
_ce... |
mp-1516843 | SrTbEuSbO6 | data_[Sr4Tb4Eu4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-14099 | ZnAgF3 | data_[Zn1Ag1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0731]
_cell_length_b [4.0731]
_cell_length_c [4.0731]
_cel... |
mp-10584 | Ba2LiOsO6 | data_[Ba8Li4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2094]
_cell_length_b [8.2... |
mp-867932 | Sm2MgGe2 | data_[Sm4Mg2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3850]
_cell_length_b [7.3850]
_cell_length_c [4.3609]
_... |
mp-21389 | Eu3AuO6 | data_[Eu3Au1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7594]
_cell_length_b [5.6791]
_cell_length_c [7.2130]
_cell_... |
mp-1078589 | EuAu | data_[Eu4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7431]
_cell_length_b [4.7618]
_cell_length_c [6.0431]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1179919 | Pr(As3Ru)4 | data_[Pr2As24Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.6069]
_cell_length_b [8.6069]
_cell_length_c [8.6069]
_c... |
mp-1222132 | Mn10CuGe5 | data_[Mn20Cu2Ge10]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [9.3888]
_cell_length_b [9.3888]
_cell_length_c [4.8188]
_... |
mp-1104386 | Li6PClO5 | data_[Li24P4Cl4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
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 [8.3378]
_cell_length_b [8.33... |
mp-1218898 | SnTePt | data_[Sn4Te4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.5982]
_cell_length_b [6.5982]
_cell_length_c [6.5982]
_c... |
mp-1080664 | CrB | data_[Cr8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [2.9136]
_cell_length_b [2.9136]
_cell_length_c [15.6810]
_cell_angle_alpha [90.0000]
_cel... |
mp-10018 | Ac | data_[Ac4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6623]
_cell_length_b [5.6623]
_cell_length_c [5.6623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1211359 | LaMn3Cr4O12 | data_[La2Mn6Cr8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5339]
_cell_length_b [7.53... |
mp-1209679 | PrBiRh | data_[Pr4Bi4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5584]
_cell_length_b [4.8878]
_cell_length_c [7.9910]
_ce... |
mp-1020059 | LiGe2N3 | data_[Li4Ge8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6284]
_cell_length_b [5.5762]
_cell_length_c [5.1017]
_c... |
mp-1189429 | LaGaPd2 | data_[La4Ga4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6760]
_cell_length_b [7.1125]
_cell_length_c [5.9200]
_ce... |
mp-756309 | Ce4DyO9 | data_[Ce8Dy2O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8278]
_cell_length_b [19.4950]
_cell_length_c [5.5294]
_ce... |
mp-1220565 | Nd(Co5Mo)2 | data_[Nd2Co20Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6992]
_cell_length_b [8.5116]
_cell_length_c [8.5372]
_c... |
mp-38816 | Mg(TiS2)4 | data_[Mg3Ti12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0569]
_cell_length_b [7.0569]
_cell_length_c [17.1272]
_c... |
mp-10867 | PrPPd | data_[Pr2P2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2579]
_cell_length_b [4.2579]
_cell_length_c [7.9378]
_... |
mp-4195 | Tm(NiGe)2 | data_[Tm2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0356]
_cell_length_b [4.0356]
_cell_length_c [9.7747]
_... |
mp-1226911 | Ce4SmO10 | data_[Ce8Sm2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.6710]
_cell_length_b [8.6710]
_cell_length_c [5.4742]
_cel... |
mp-755891 | CsLiH4SO5 | data_[Cs2Li2H8S2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
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 [Cm]
_cell_length_a [12... |
mp-1185009 | KOsO3 | data_[K1Os1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9312]
_cell_length_b [3.9312]
_cell_length_c [3.9312]
_cell_... |
mp-550117 | Sm4Se3O4 | data_[Sm8Se6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4348]
_cell_length_b [3.9721]
_cell_length_c [12.8394]
_cel... |
mp-1186667 | PmYCu2 | data_[Pm4Y4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0552]
_cell_length_b [7.0552]
_cell_length_c [7.0552]
_cel... |
mp-756281 | TmAlO3 | data_[Tm4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3767]
_cell_length_b [7.3899]
_cell_length_c [5.1552]
_cel... |
mp-3196 | NdGaO3 | data_[Nd4Ga4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6159]
_cell_length_b [7.8017]
_cell_length_c [5.4712]
_cel... |
mp-38970 | Ga2Te3 | data_[Ga8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.3595]
_cell_length_b [12.9965]
_cell_length_c [7.3182]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1222817 | LaNdC4 | data_[La2Nd2C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6236]
_cell_length_b [3.8915]
_cell_length_c [7.6079]
_cell... |
mp-1225153 | EuCu4Pd | data_[Eu1Cu4Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1582]
_cell_length_b [5.1582]
_cell_length_c [4.2198]
_c... |
mp-1183266 | AcPr3 | data_[Ac2Pr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.5639]
_cell_length_b [7.5639]
_cell_length_c [6.2413]
_cell_angle_alpha [90.0000]
_ce... |
mp-1078827 | YSnRh | data_[Y3Sn3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5414]
_cell_length_b [7.5414]
_cell_length_c [3.9152]
_cel... |
mp-1273854 | SrCoO3 | data_[Sr2Co2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P4/mmm]
_cell_length_a [3.8863]
_cell_length_b [3.8863]
_cell_length_c [7.6867]
_ce... |
mp-1224805 | Ga3Co4Ge | data_[Ga9Co12Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6124]
_cell_length_b [6.6124]
_cell_length_c [7.9556]
_cel... |
mp-4431 | Ag3AsS3 | data_[Ag18As6S18]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [10.7648]
_cell_length_b [10.7648]
_cell_length_c [9.5834]
_c... |
mp-1213040 | ErMn4(CuO4)3 | data_[Er2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
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 [Im-3]
_cell_length_a [7.3965]
_cell_length_b [7.39... |
mp-1112102 | K2CeAgBr6 | data_[K8Ce4Ag4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4818]
_cell_length_b [11... |
mp-645159 | FeBiO3 | data_[Fe4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7299]
_cell_length_b [7.8644]
_cell_length_c [5.4822]
_cel... |
mp-12433 | NaSnN | data_[Na2Sn2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.3669]
_cell_length_b [3.3669]
_cell_length_c [11.0238]
_c... |
mp-21495 | CrFeP | data_[Cr4Fe4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7535]
_cell_length_b [3.5340]
_cell_length_c [6.5557]
_cell... |
mp-625548 | Cd(HO)2 | data_[Cd1H2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5871]
_cell_length_b [3.5871]
_cell_length_c [4.6945]
_cell_... |
mp-22375 | In2S3 | data_[In12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.6622]
_cell_length_b [6.6622]
_cell_length_c [17.9199]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1223446 | KIO3 | data_[K3I3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.3102]
_cell_length_b [6.3102]
_cell_length_c [8.0370]
_cell_angle... |
mp-19377 | LiLa2MoO6 | data_[Li2La4Mo2O12]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6318]
_cell_length_b [5.... |
mp-570164 | YbTl3 | data_[Yb1Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8595]
_cell_length_b [4.8595]
_cell_length_c [4.8595]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209299 | PrSiOs2C | data_[Pr4Si4Os8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9973]
_cell_length_b [11.12... |
mp-756483 | V4CrCuO12 | data_[V8Cr2Cu2O24]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0334]
_cell_length_b [8.9932]... |
mp-1212776 | Fe3Pb4BrO8 | data_[Fe3Pb4Br1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9851]
_cell_length_b [3.9... |
mp-1221938 | Mn6GaGe | data_[Mn6Ga1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1691]
_cell_length_b [5.1691]
_cell_length_c [4.1743]
_c... |
mp-6126 | LiCdBO3 | data_[Li3Cd3B3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.4339]
_cell_length_b [8.4339]
... |
mp-1226564 | CeIrOs | data_[Ce4Ir4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1285]
_cell_length_b [5.4748]
_cell_length_c [7.9349]
_ce... |
mp-1208854 | SmAs2Pd3 | data_[Sm6As12Pd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7648]
_cell_length_b [4.1230]
_cell_length_c [10.0522]... |
mp-1101431 | RbLiMn3O4 | data_[Rb2Li2Mn6O8]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9323]
_cell_length_b [3.5977... |
mp-1221732 | MnB4Mo3 | data_[Mn1B4Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4831]
_cell_length_b [3.0604]
_cell_length_c [6.2363]
_cell_a... |
mp-1208950 | SmMn6(Sn2Ge)2 | data_[Sm1Mn6Sn4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3788]
_cell_length_b [5... |
mp-570687 | AgCl | data_[Ag2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9269]
_cell_length_b [4.0030]
_cell_length_c [5.5994]
_cell_angle_alpha [90.0000]
_cell... |
mp-1518253 | SrEuHfSnO6 | data_[Sr4Eu4Hf4Sn4O24]
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
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-3255 | SrCu2O3 | data_[Sr2Cu4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9748]
_cell_length_b [11.5723]
_cell_length_c [3.5634]
_cel... |
mp-1179056 | Th(BOs)4 | data_[Th2B8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.6338]
_cell_length_b [7.6338]
_cell_length_c [4.0140]
_ce... |
mp-1174068 | Li3Mn2O5 | data_[Li12Mn8O20]
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 [C2/m]
_cell_length_a [22.2883]
_cell_length_b [2.8680]
_cell_length_c [5.8108]
_c... |
mp-1205837 | Ba2HoMoO6 | data_[Ba8Ho4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
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 [8.4881]
_cell_length_b [8.4... |
mp-608555 | Cs2SnCl6 | data_[Cs8Sn4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6659]
_cell_length_b [10.6659]
_cell_length_c [10.6659... |
mp-567317 | Nd(AlGa)2 | data_[Nd2Al4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2257]
_cell_length_b [4.2257]
_cell_length_c [11.2101]
... |
mp-1064497 | SnS | data_[Sn2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1052]
_cell_length_b [4.1092]
_cell_length_c [11.0411]
_cell_angle_alpha [98.0168]
_cell_ang... |
mp-1753 | ThAs | data_[Th4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0150]
_cell_length_b [6.0150]
_cell_length_c [6.0150]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1174262 | Li4Mn3CoO8 | data_[Li4Mn3Co1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0930]
_cell_length_b [6.4871... |
mp-755636 | NaFe2(SiO3)4 | data_[Na2Fe4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.7804]
_cell_length_b [8.8447... |
mp-1105871 | Lu5Pb3 | data_[Lu10Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.8659]
_cell_length_b [8.8659]
_cell_length_c [6.5026]
_cell_angle_alpha [90.0000]
_c... |
mp-8713 | K2MnS2 | data_[K8Mn4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9336]
_cell_length_b [12.7208]
_cell_length_c [6.3039]
_cell_... |
mp-994 | YP | data_[Y4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6797]
_cell_length_b [5.6797]
_cell_length_c [5.6797]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1124 | MgZn2 | data_[Mg4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2513]
_cell_length_b [5.2513]
_cell_length_c [8.4452]
_cell_angle_alpha [90.0000]
_ce... |
mp-752876 | Li2Co3NiO8 | data_[Li6Co9Ni3O24]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6917]
_cell_length_b [5.691... |
mp-10105 | UTeAs | data_[U2Te2As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1276]
_cell_length_b [4.1276]
_cell_length_c [8.9037]
_ce... |
mp-1228186 | Al4Ni3Pt | data_[Al4Ni3Pt1]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9177]
_cell_length_b [2.9177]
_cell_length_c [11.9072]
... |
mp-1517370 | BaNaTbWO6 | data_[Ba4Na4Tb4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1218526 | Sr2Tl2O5 | data_[Sr8Tl8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5630]
_cell_length_b [11.6702]
_cell_length_c [14.1023]
... |
mp-1183374 | 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 [P6_3/mmc]
_cell_length_a [8.6881]
_cell_length_b [8.6881]
_cell_length_c [7.0611]
_cell_angle_alpha [90.0000]
_ce... |
mp-22141 | BaIn2 | data_[Ba4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3437]
_cell_length_b [8.6586]
_cell_length_c [8.7066]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-755649 | K2Eu2O3 | data_[K4Eu4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0385]
_cell_length_b [7.1519]
_cell_length_c [7.0831]
_cell... |
mp-11818 | BaZnGe | data_[Ba2Zn2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4855]
_cell_length_b [4.4855]
_cell_length_c [9.7968]... |
mp-396 | YbGa | data_[Yb1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6508]
_cell_length_b [3.6508]
_cell_length_c [3.5314]
_cell_angle_alpha [90.0000]
_cell... |
mp-1106080 | Ba3Ir(CN)3 | data_[Ba6Ir2C6N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.3246]
_cell_length_b [9.324... |
mp-30218 | Ti2P | data_[Ti6P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6178]
_cell_length_b [6.6178]
_cell_length_c [3.5126]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-3241 | Sr(CuGe)2 | data_[Sr2Cu4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2815]
_cell_length_b [4.2815]
_cell_length_c [10.3019]
... |
mp-1218760 | Sr2Nd2CrNiO8 | data_[Sr4Nd4Cr2Ni2O16]
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
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 [Amm2]
_cell_length... |
mp-1226711 | CeB4(IrOs)2 | data_[Ce2B8Ir4Os4]
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
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4_2]
_cell_length_a [7.6237]
_cell_length_b [7.623... |
mp-1220015 | PrGdAl4 | data_[Pr4Gd4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9120]
_cell_length_b [7.9120]
_cell_length_c [7.9120]
_... |
mp-1102069 | LaNiP | data_[La4Ni4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0506]
_cell_length_b [4.0506]
_cell_length_c [16.1260]
... |
mp-1077933 | GdCu2 | data_[Gd4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.3502]
_cell_length_b [7.0112]
_cell_length_c [7.4170]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-775981 | VOF3 | data_[V4O4F12]
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 [P-1]
_cell_length_a [5.2922]
_cell_length_b [5.4995]
_cell_length_c [9.3305]
_cell_ang... |
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