Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002644866 | BeCa2Cs | data_[Cs4Ca8Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1096]
_cell_length_b [8.1096]
_cell_length_c [8.1096]
_c... |
agm2000018839 | S3Y2 | data_[Y4S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [18.2036]
_cell_length_b [7.1099]
_cell_length_c [7.5394]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002354129 | NdPt6Sb4 | data_[Nd1Sb4Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.7113]
_cell_length_b [7.7113]
_cell_length_c [4.3539]
_c... |
agm001100791 | Dy2EuY | data_[Eu4Dy8Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1331]
_cell_length_b [8.1331]
_cell_length_c [8.1331]
_cel... |
agm004339860 | OsPb2Tl | data_[Tl1Os1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6641]
_cell_length_b [5.1188]
_cell_length_c [5.1189]
_ce... |
agm004387391 | AlLaTa | data_[La1Ta1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9992]
_cell_length_b [4.9992]
_cell_length_c [3.1903]
_c... |
agm001122584 | Ca2CdF | data_[Ca2Cd1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4345]
_cell_length_b [3.4345]
_cell_length_c [7.9978]
_ce... |
agm002814080 | Cl2ITa | data_[Ta4I4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7710]
_cell_length_b [8.7710]
_cell_length_c [5.8522]
_cel... |
agm002726559 | AuRbTa2 | data_[Rb4Ta8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8118]
_cell_length_b [6.8118]
_cell_length_c [6.8118]
_c... |
agm001239798 | CeIrPm | data_[Ce4Pm4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9303]
_cell_length_b [6.9303]
_cell_length_c [6.9303]
_c... |
agm006033902 | CrCs3Se4 | data_[Cs12Cr4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2165]
_cell_length_b [12.0547]
_cell_length_c [10.2296... |
oqmd-3699149 | BiScSr | data_[Sr4Sc4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6587]
_cell_length_b [7.6587]
_cell_length_c [7.6587]
_c... |
agm003877716 | PPbTe | data_[Te4P4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [4.4663]
_cell_length_b [4.7008]
_cell_length_c [15.4279]
_cel... |
oqmd-2460623 | CeZr | data_[Ce4Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.5329]
_cell_length_b [7.1009]
_cell_length_c [6.0190]
_cell_angle_alpha [90.0000]
_cell_a... |
agm002680074 | BeGeH2 | data_[Be4Ge4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.1362]
_cell_length_b [5.1362]
_cell_length_c [5.1362]
_cel... |
agm001274312 | CoPaTb | data_[Tb1Pa1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pa 1.5000 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1948]
_cell_length_b [4.1948]
_cell_length_c [4.7044]
_c... |
agm005151216 | Ba2O5PmTm | data_[Ba8Pm4Tm4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7381]
_cell_length_b [14... |
agm005096877 | AuBF6Na | data_[Na2B2Au2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
B 2.0400 0.8500 0.4100
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8338]
_cell_length_b [6.3755]
... |
mp-760165 | Cu2LiO15P5 | data_[Li2Cu4P10O30]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6210]
_cell_length_b [8.9279]... |
oqmd-9023813 | Hg2O6PbS | data_[Hg4Pb2S2O12]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9913]
_cell_length_b [7.4583]... |
agm004543156 | Bi2CCa2Er2 | data_[Ca4Er4Bi4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8431]
_cell_length_b [4.8... |
oqmd-3162617 | GdThV | data_[Gd4Th4V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Th 1.3000 1.8000 1.0800
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0450]
_cell_length_b [7.0450]
_cell_length_c [7.0450]
_cel... |
oqmd-5859362 | B3Y2Yb2 | data_[Yb4Y4B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.2415]
_cell_length_b [28.9020]
_cell_length_c [3.5488]
_cell_... |
oqmd-3154212 | CrRbTh | data_[Rb4Th4Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Th 1.3000 1.8000 1.0800
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5362]
_cell_length_b [7.5362]
_cell_length_c [7.5362]
_c... |
agm003635593 | InPtRb2 | data_[Rb6In3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6558]
_cell_length_b [4.6558]
_cell_length_c [28.8185]
_ce... |
agm001468527 | BGe2SSe | data_[Ge2B1Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1172]
_cell_length_b [5.117... |
agm001070621 | F2MgSc4 | data_[Mg2Sc8F4]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2623]
_cell_length_b [5.2623]
_cell_length_c [11.8455]
_c... |
agm002934195 | Ba2NTc2 | data_[Ba4Tc4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2904]
_cell_length_b [6.2904]
_cell_length_c [6.6642]
_ce... |
agm005183241 | CdGaHoSc | data_[Ho1Sc1Cd1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5140]
_cell_length_b [3.5... |
agm005032778 | La3SmThY | data_[La6Sm2Y2Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2441]
_cell_length_b [5.1... |
agm001571507 | Hg2RuScTe | data_[Sc1Hg2Te1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2463]
_cell_length_b [5... |
agm004507283 | Ba2Ge3Pt4Sb | data_[Ba2Ge3Sb1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6503]
_cell_length_b [4.... |
agm004480733 | Br6NaRb3 | data_[Rb12Na4Br24]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1402]
_cell_length_b [12.1402]
_cell_length_c [12.140... |
agm005716486 | Fe4Ir5Rh4 | data_[Fe8Ir10Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.6752]
_cell_length_b [9.6752]
_cell_length_c [3.8205]
_c... |
agm003805537 | AlCuMg2 | data_[Mg4Al2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8142]
_cell_length_b [8.0498]
_cell_length_c [2.9891]
_ce... |
agm005927536 | Er12Ho3Zr | data_[Ho3Er12Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6109]
_cell_length_b [5.6276]
_cell_length_c [24.0270]
_... |
oqmd-7226708 | LiNbTl2 | data_[Li4Nb4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0827]
_cell_length_b [7.0827]
_cell_length_c [7.0827]
_c... |
oqmd-9810046 | AuEuGa6 | data_[Eu1Ga6Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4844]
_cell_length_b [4.4844]
_cell_length_c [7.9873]
_... |
agm005431778 | CaIn4Mg | data_[Ca4Mg4In16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.6960]
_cell_length_b [8.6960]
_cell_length_c [8.6960]
_... |
agm001084835 | HNi2Tb4 | data_[Tb8Ni4H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6971]
_cell_length_b [4.6971]
_cell_length_c [13.4999]
_c... |
agm004754652 | CeCo2P2Zr | data_[Ce1Zr1Co2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8348]
_cell_length_b [3.83... |
oqmd-4630942 | AuBa2RuS6 | data_[Ba8Ru4Au4S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8024]
_cell_length_b [9.8... |
oqmd-9948993 | Ge2PtRhY | data_[Y2Ge4Pt2Rh2]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1866]
_cell_length_b [4.1... |
agm005026802 | HgKTe3Tm | data_[K2Tm2Hg2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3429]
_cell_length_b [4.4... |
agm003024845 | Ru2Sn2Ti | data_[Ti2Sn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.6685]
_cell_length_b [6.6685]
_cell_length_c [4.0497]
_... |
agm004654797 | Bi6Ca3Ho2Pa | data_[Ca6Ho4Pa2Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8434]
_cell_length_b [13... |
agm004669245 | Al2K3O8Pu | data_[K3Pu1Al2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pu 1.2800 1.7500 0.9675
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7835]
_cell_length_b [5.7835... |
agm004289439 | AlHg2Zn | data_[Al2Zn2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0280]
_cell_length_b [4.5200]
_cell_length_c [12.5683]
_c... |
agm001797595 | BaNSe2Zn | data_[Ba1Zn1Se2N1]
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
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3439]
_cell_length_b [5.3... |
agm005953822 | Pr8TmY3 | data_[Pr16Y6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.8560]
_cell_length_b [8.8560]
_cell_length_c [11.7166]
_c... |
agm005745090 | Ca3CuGa2 | data_[Ca12Ga8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1691]
_cell_length_b [4.3606]
_cell_length_c [11.7065]
... |
agm002707309 | AsMoN2 | data_[Mo4As4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4989]
_cell_length_b [5.4989]
_cell_length_c [5.4989]
_cel... |
agm001374642 | AuHoSrTl | data_[Sr4Ho4Tl4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6256]
_cell_length_b [7.... |
agm001377111 | AuBaNdPb | data_[Ba4Nd4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0198]
_cell_length_b [8.... |
agm006040989 | Ag4Te4Tl | data_[Tl1Ag4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6559]
_cell_length_b [4.6559]
_cell_length_c [14.5660]
_... |
agm002579313 | IPtRu3 | data_[Ru3Pt1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9158]
_cell_length_b [4.9158]
_cell_length_c [4.9158]
_cel... |
agm005836447 | Ho2LaY7 | data_[La1Y7Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2004]
_cell_length_b [6.2062]
_cell_length_c [9.4734]
_cell_... |
agm001732751 | AlN2SeW | data_[Al1W1Se1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7726]
_cell_length_b [3.772... |
agm006064920 | Al3Ga4Tb | data_[Tb2Al6Ga8]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3834]
_cell_length_b [6.7827]
_cell_length_c [14.0586]
_c... |
agm004749167 | Ce2N2SmSn | data_[Ce2Sm1Sn1N2]
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
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5172]
_cell_length_b [4.5... |
agm003444445 | PbTl2Tm4 | data_[Tm8Tl4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6461]
_cell_length_b [6.5992]
_cell_length_c [10.7659]
... |
agm005460657 | Fe4OsP | data_[Fe16P4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6389]
_cell_length_b [6.6389]
_cell_length_c [6.6389]
_ce... |
agm002935420 | AuNa2S2 | data_[Na4Au2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5665]
_cell_length_b [5.5665]
_cell_length_c [10.5044]
_c... |
agm002494752 | CrH3Mg | data_[Mg1Cr1H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7144]
_cell_length_b [3.7144]
_cell_length_c [3.7144]
_cel... |
agm001106492 | HgHoI3 | data_[Ho1Hg1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0195]
_cell_length_b [6.0195]
_cell_length_c [6.0195]
_cel... |
agm003467308 | La5Pr2Tb | data_[La20Tb4Pr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7677]
_cell_length_b [12.2284]
_cell_length_c [16.7346]
... |
agm004348504 | SbSi2Zr | data_[Zr4Si8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8605]
_cell_length_b [6.8605]
_cell_length_c [6.8605]
_c... |
mp-2219519 | Co4F2MgO6 | data_[Mg2Co8O12F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [8.2658]
_cell_length_b [6.1092]
... |
agm005041576 | GaHNaO3 | data_[Na2Ga2H2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2108]
_cell_length_b [3.095... |
agm002730075 | Co2SSr | data_[Sr4Co8S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3184]
_cell_length_b [6.3184]
_cell_length_c [6.3184]
_cel... |
agm004548485 | Ag2BaCd2Na2 | data_[Ba3Na6Cd6Ag6]
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
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9657]
_cell_length_b [4.9... |
agm005653189 | As2PTm3 | data_[Tm48As32P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.0505]
_cell_length_b [11.3864]
_cell_length_c [24.1380]
... |
oqmd-2094402 | BCoMgZn | data_[Mg4Zn4Co4B4]
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
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6874]
_cell_length_b [5.68... |
oqmd-6012217 | N2OPmSb | data_[Pm4Sb4N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.1299]
_cell_length_b [5.6814]... |
agm002980658 | Ge2ReTa2 | data_[Ta4Re2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.4046]
_cell_length_b [6.4046]
_cell_length_c [3.9962]
_... |
agm004158238 | FeOsW2 | data_[Fe1Os1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1209]
_cell_length_b [3.1209]
_cell_length_c [6.0247]
_cell... |
agm001452229 | CdGa2VZr | data_[Zr1V1Cd1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6560]
_cell_length_b [4.6... |
agm005815327 | Cs3H2Sb | data_[Cs6Sb2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1546]
_cell_length_b [6.1710]
_cell_length_c [14.6836]
_cell... |
agm004437608 | AlCrY2 | data_[Y6Al3Cr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4580]
_cell_length_b [3.4580]
_cell_length_c [28.5971]
_cell... |
agm005121555 | BaKNa2 | data_[K3Ba3Na6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3016]
_cell_length_b [4.3016]
_cell_length_c [40.1547]
_cell... |
agm004143727 | AsBrW2 | data_[As2W4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2744]
_cell_length_b [3.3016]
_cell_length_c [7.7581]
_cell_a... |
agm001717116 | I2PtTeZn | data_[Zn1Te1Pt1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6089]
_cell_length_b [5.6... |
oqmd-5516344 | AlRhZr | data_[Zr3Al3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1365]
_cell_length_b [7.1365]
_cell_length_c [3.5622]
_c... |
agm003771761 | Cd6HoSm | data_[Sm2Ho2Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9031]
_cell_length_b [7.1695]
_cell_length_c [10.9858]
_... |
agm004143879 | FeHgTc2 | data_[Fe1Tc2Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8741]
_cell_length_b [2.8741]
_cell_length_c [7.6198]
_ce... |
agm005575962 | Al3Ni2Sm3 | data_[Sm12Al12Ni8]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0566]
_cell_length_b [15.1687]
_cell_length_c [5.4967]
... |
agm001936235 | NdScY2 | data_[Nd3Y6Sc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5375]
_cell_length_b [3.5375]
_cell_length_c [34.2629]
_cel... |
agm002340499 | H4UZn | data_[U4Zn4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.5203]
_cell_length_b [11.1122]
_cell_length_c [4.1785]
_cell... |
oqmd-6237340 | CrP2RbS5Se2 | data_[Rb2Cr2P4Se4S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [... |
agm002974642 | CuSe2Te2 | data_[Cu2Te4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5719]
_cell_length_b [7.5719]
_cell_length_c [4.6265]
_... |
agm2000124928 | N2Na | data_[Na2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.3421]
_cell_length_b [4.7696]
_cell_length_c [17.7443]
_cell_angle_alpha [90.0000]
_cell_an... |
agm004826293 | CeSe4Th2Tm | data_[Ce1Tm1Th2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0803]
_cell_length_b [4.1... |
agm001158549 | AcCaEu2 | data_[Ca1Ac1Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9163]
_cell_length_b [3.9163]
_cell_length_c [11.2355]
... |
agm005748536 | NSnTi2 | data_[Ti2Sn1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.0477]
_cell_length_b [3.0477]
_cell_length_c [7.2683]
_cel... |
agm002178381 | Cu5PTl | data_[Tl1Cu5P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9508]
_cell_length_b [3.9508]
_cell_length_c [6.4904]
_ce... |
oqmd-6512057 | Bi2Mg2NaRb | data_[Rb1Na1Mg2Bi2]
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
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.8507]
_cell_length_b [4.8... |
agm001811331 | CaCd2Cs | data_[Cs1Ca1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2335]
_cell_length_b [4.2335]
_cell_length_c [8.6875]
_... |
agm005730258 | B10NiPa2 | data_[Pa4Ni2B20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.5516]
_cell_length_b [11.0081]
_cell_length_c [4.1180]
_ce... |
agm002690467 | Li2NSr | data_[Sr4Li8N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1755]
_cell_length_b [6.1755]
_cell_length_c [6.1755]
_cel... |
agm002620418 | Ge3PtV | data_[V1Ge3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6920]
_cell_length_b [4.6920]
_cell_length_c [4.6920]
_cel... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.