Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003516380 | Hg2NaPb8 | data_[Na2Hg4Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8254]
_cell_length_b [6.3818]
_cell_length_c [6.3459]
_... |
agm005625117 | Ba2Cd9Rh3 | data_[Ba8Cd36Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.9707]
_cell_length_b [8.2397]
_cell_length_c [11.9516]... |
agm004904046 | Ac2DyNbO8 | data_[Ac2Dy1Nb1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1701]
_cell_length_b [5.668... |
agm005236890 | Ir2ScSn | data_[Sc2Sn2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8633]
_cell_length_b [4.8861]
_cell_length_c [10.7175]
_c... |
oqmd-2847000 | NaSnTc | data_[Na4Tc4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5547]
_cell_length_b [6.5547]
_cell_length_c [6.5547]
_c... |
agm004853639 | Ge2IrSTh4 | data_[Th4Ge2Ir1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3272]
_cell_length_b [4.208... |
agm2000096825 | CuOsSe3 | data_[Cu2Os2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.6118]
_cell_length_b [6.9653]
_cell_length_c [6.1733]
... |
agm003818698 | CIn2 | data_[In4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.1289]
_cell_length_b [3.1289]
_cell_length_c [11.4112]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-9028076 | MnS3TlZr | data_[Zr2Mn2Tl2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9047]
_cell_length_b [3.7... |
agm001444495 | BaBiMoRe2 | data_[Ba1Re2Bi1Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Re 1.9000 1.3500 0.7125
Bi 2.0200 1.6000 1.0350
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9727]
_cell_length_b [4... |
agm002279635 | CrCu3H4 | data_[Cr1Cu3H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9272]
_cell_length_b [3.9272]
_cell_length_c [3.9272]
_cel... |
agm004838040 | AsCl2Nd4P | data_[Nd4As1P1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2960]
_cell_length_b [4.186... |
agm002611829 | BrPtTi3 | data_[Ti3Pt1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5746]
_cell_length_b [4.5746]
_cell_length_c [4.5746]
_c... |
agm003316037 | Ag2Pd2Tb5 | data_[Tb20Ag8Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6055]
_cell_length_b [7.4338]
_cell_length_c [7.8375]
_... |
agm001222220 | HgNdSb2 | data_[Nd1Hg1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8361]
_cell_length_b [4.8361]
_cell_length_c [4.6272]
_... |
agm003066332 | GaInSr | data_[Sr2In2Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9008]
_cell_length_b [4.9008]
_cell_length_c [7.9939]
_c... |
agm004244693 | KMnRh2 | data_[K2Mn2Rh4]
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 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8610]
_cell_length_b [5.1859]
_cell_length_c [9.6705]
_cell... |
agm2000023261 | AsSb | data_[Sb2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2010]
_cell_length_b [4.2010]
_cell_length_c [18.1508]
_cell_angle_alpha [90.0000]
_cell_... |
agm004333342 | Re2RhSi | data_[Re4Si2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1110]
_cell_length_b [8.0021]
_cell_length_c [2.7912]
_ce... |
agm004402332 | Hg2RhZr | data_[Zr2Hg4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2678]
_cell_length_b [4.2678]
_cell_length_c [8.4272]
_... |
agm2000101046 | Br2Ce2S3 | data_[Ce4S6Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [22.3741]
_cell_length_b [5.8174]
_cell_length_c [7.2535]
_c... |
oqmd-5491378 | HgRuSn2 | data_[Sn8Hg4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9821]
_cell_length_b [6.9821]
_cell_length_c [6.9821]
_c... |
agm005436794 | HgMn4Tl | data_[Mn16Tl4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5524]
_cell_length_b [7.5524]
_cell_length_c [7.5524]
_... |
agm004653729 | Er3PbSm2Tm6 | data_[Sm4Er6Tm12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0343]
_cell_length_b [10... |
agm005983650 | Ac2Au4Pu | data_[Ac2Pu1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pu 1.2800 1.7500 0.9675
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3943]
_cell_length_b [5.3943]
_cell_length_c [7.2261]
_... |
agm004965326 | CePRb2S6 | data_[Rb2Ce1P1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3390]
_cell_length_b [7.3390... |
agm003393670 | AuGa2Nb2 | data_[Nb4Ga4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4334]
_cell_length_b [12.8993]
_cell_length_c [2.9593]
_c... |
agm004268558 | CoFeTl2 | data_[Tl2Fe1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2051]
_cell_length_b [3.2051]
_cell_length_c [6.7790]
_... |
oqmd-2035563 | Br3RbV | data_[Rb6V6Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [12.8365]
_cell_length_b [12.8365]
_cell_length_c [6.4358]
... |
agm002803705 | Br2NbTc | data_[Nb4Tc4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7819]
_cell_length_b [5.7819]
_cell_length_c [11.5095]
_... |
agm005568158 | Ce2Rh5Si2 | data_[Ce2Si2Rh5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1373]
_cell_length_b [4.1373]
_cell_length_c [8.9186]
_... |
oqmd-7544866 | CuErMgS2Te | data_[Er4Mg4Cu4Te4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_... |
mp-683967 | Cd7Cl8O17Te7 | data_[Cd28Te28Cl32O68]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [14.7966]
_cell_length_b... |
agm2000075045 | Ag4As3Y | data_[Y1Ag4As3]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0863]
_cell_length_b [4.5982]
_cell_length_c [20.8735]
_cell_... |
agm2000077991 | FRb3S | data_[Rb3S1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2578]
_cell_length_b [8.1460]
_cell_length_c [18.7380]
_cell_... |
agm004238602 | BrSc2 | data_[Sc2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5022]
_cell_length_b [4.5022]
_cell_length_c [3.4687]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-3004762 | Ba2SbSn | data_[Ba8Sn4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3272]
_cell_length_b [8.3272]
_cell_length_c [8.3272]
_c... |
agm004979528 | CuKP2S6 | data_[K4Cu4P8S24]
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
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8331]
_cell_length_b [15.0028... |
agm005193647 | AcCdSmY | data_[Ac1Sm1Y1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8056]
_cell_length_b [3.805... |
agm003629879 | CdPt2Y | data_[Y2Cd2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.9646]
_cell_length_b [6.0867]
_cell_length_c [5.1164]
_cell... |
agm004391867 | Be2CrK | data_[K2Be4Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1889]
_cell_length_b [2.5782]
_cell_length_c [6.4414]
_cell_a... |
oqmd-6832608 | CPbTiY | data_[Y2Ti2Pb2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.3928]
_cell_length_b [3.392... |
agm004058883 | Cd2RhTe | data_[Cd4Te2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1338]
_cell_length_b [4.6345]
_cell_length_c [12.6849]
_c... |
agm001664881 | BCdHf2Zr | data_[Hf2Zr1Cd1B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6100]
_cell_length_b [4.6... |
agm002816051 | ClGaNi2 | data_[Ga4Ni8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.3841]
_cell_length_b [4.3841]
_cell_length_c [13.6661]
_... |
agm005190007 | CaLiRhSr | data_[Sr3Li3Ca3Rh3]
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
Ca 1.0000 1.8000 1.1400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3325]
_cell_length_b [4.33... |
agm001342104 | CuEuHgZn | data_[Eu4Zn4Cu4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9291]
_cell_length_b [6.... |
agm003925211 | LiP2Tl | data_[Li1Tl1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2314]
_cell_length_b [3.2314]
_cell_length_c [7.4045]
_cell... |
agm004970570 | AlH6Li2Mn | data_[Li4Mn2Al2H12]
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 0.6483
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6056]
_cell_length_b [4.... |
agm003857370 | HgMoW | data_[Hg1Mo1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6441]
_cell_length_b [4.6441]
_cell_length_c [2.7884]
_cell... |
agm005520176 | Ba3Co | data_[Ba12Co4]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [9.0984]
_cell_length_b [9.0984]
_cell_length_c [9.4174]
_cell_angle_alpha [90.0000]
_c... |
agm002820197 | Ag2CrI | data_[Cr4Ag8I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.2229]
_cell_length_b [8.2229]
_cell_length_c [5.5651]
_cel... |
agm005687447 | In8Nd3Ni3 | data_[Nd6In16Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9990]
_cell_length_b [4.8420]
_cell_length_c [9.1643]
_... |
agm001515146 | I2IrMoN | data_[Mo1Ir1I2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4766]
_cell_length_b [5.476... |
agm001244518 | BiMgNa2 | data_[Na2Mg1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6624]
_cell_length_b [4.6624]
_cell_length_c [5.0626]
_... |
agm004111260 | Co2FeMo | data_[Fe4Co8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8222]
_cell_length_b [5.8222]
_cell_length_c [5.8222]
_c... |
agm001222392 | ErPa2Sb | data_[Er1Pa2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4480]
_cell_length_b [4.4480]
_cell_length_c [5.0650]
_... |
agm003648791 | HoMg4Pd5 | data_[Ho1Mg4Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2777]
_cell_length_b [3.2777]
_cell_length_c [16.0271]
... |
agm005716705 | Ac5Sc4Tl4 | data_[Ac10Sc8Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [13.2321]
_cell_length_b [13.2321]
_cell_length_c [4.9132]
... |
agm003696751 | In6Tm8Y | data_[Y3Tm24In18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9309]
_cell_length_b [8.9309]
_cell_length_c [19.3387]
_ce... |
agm004703707 | K4Np3O12Rb | data_[K8Rb2Np6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.8505]
_cell_length_b [8.850... |
agm005979104 | Ca3InPt8 | data_[Ca9In3Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4447]
_cell_length_b [5.4447]
_cell_length_c [26.5179]
_c... |
oqmd-6411409 | CdSiTl | data_[Tl3Cd3Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8112]
_cell_length_b [7.8112]
_cell_length_c [4.0782]
_c... |
agm005980790 | CeNd3Ru8 | data_[Ce3Nd9Ru24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3956]
_cell_length_b [5.3956]
_cell_length_c [26.6487]
_c... |
agm004722207 | Na4Sc3Se8Th | data_[Na12Th3Sc9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0330]
_cell_length_b [8... |
agm001218784 | ErIrPd2 | data_[Er1Ir1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1014]
_cell_length_b [4.1014]
_cell_length_c [4.0367]
_... |
oqmd-6809414 | Ga2NdNi4Pr | data_[Pr1Nd1Ga2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0173]
_cell_length_b [5.1... |
agm004187131 | W2YZr | data_[Y1Zr1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9254]
_cell_length_b [4.7967]
_cell_length_c [5.9392]
_cell_a... |
agm002930946 | Cu2MgTl2 | data_[Mg2Tl4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4488]
_cell_length_b [3.4488]
_cell_length_c [17.6324]
... |
agm005844204 | HgLi5Zn2 | data_[Li10Zn4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0367]
_cell_length_b [4.0367]
_cell_length_c [15.9771]... |
agm1000006842 | P2W | data_[P4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [16.8017]
_cell_length_b [5.2054]
_cell_length_c [16.8017]
_cell_angle_alpha [90.0000]
_cell_angle... |
agm004783884 | CaN4OsTm2 | data_[Ca4Tm8Os4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4047]
_cell_length_b [11.6... |
agm001296629 | AgCdPbPt | data_[Cd4Ag4Pt4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8834]
_cell_length_b [6.... |
agm005924119 | AgRh2Tb5 | data_[Tb20Ag4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7508]
_cell_length_b [7.7508]
_cell_length_c [13.3650]... |
agm005650250 | Nd6Sm2Y5 | data_[Nd12Sm4Y10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.8224]
_cell_length_b [20.7123]
_cell_length_c [3.6646]
_... |
agm005827947 | InO4Rh | data_[In4Rh4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.6850]
_cell_length_b [6.6850]
_cell_length_c [6.5510]
_c... |
agm001076383 | La4N2Pd | data_[La8Pd2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4409]
_cell_length_b [5.4409]
_cell_length_c [13.2476]
_c... |
agm005092115 | CaCl6HgSr | data_[Sr2Ca2Hg2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.9452]
_cell_length_b [6... |
agm005738204 | Ga2SiSm3 | data_[Sm12Ga8Si4]
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 [Pnma]
_cell_length_a [12.0682]
_cell_length_b [4.0877]
_cell_length_c [12.2363]
... |
agm005834542 | B3Fe10Mg | data_[Mg8Fe80B24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6726]
_cell_length_b [10.6726]
_cell_length_c [10.6726]... |
agm002289215 | AuMnPu2 | data_[Pu8Mn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Mn 1.5500 1.4000 0.6483
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0665]
_cell_length_b [7.0665]
_cell_length_c [7.0665]
_c... |
oqmd-6634798 | CuGe2Li4Rh | data_[Li4Cu1Ge2Rh1]
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
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2063]
_cell_length_b [4.... |
agm003826969 | Ca2NiTc | data_[Ca6Tc3Ni3]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2422]
_cell_length_b [3.2422]
_cell_length_c [27.0593]
_c... |
agm005139190 | AuCu2La2Pd5 | data_[La4Cu4Pd10Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5341]
_cell_length_b [... |
agm001623852 | BHfOs2Ru | data_[Hf1B1Os2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1370]
_cell_length_b [4.1... |
agm003441208 | Sc4SmTb2 | data_[Tb4Sm2Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.0701]
_cell_length_b [8.0701]
_cell_length_c [6.2835]
_... |
agm001920131 | ErIrMnTm | data_[Er4Tm4Mn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.6483
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8652]
_cell_length_b [6.... |
agm003598856 | AsKPb | data_[K4As4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0977]
_cell_length_b [4.7891]
_cell_length_c [10.0820]
_cel... |
agm002747013 | AsSnV2 | data_[V8Sn4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3777]
_cell_length_b [6.3777]
_cell_length_c [6.3777]
_cel... |
agm003917592 | CdMn | data_[Mn4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0661]
_cell_length_b [4.0661]
_cell_length_c [8.6680]
_cell_angle_alpha [90.0000]
_ce... |
oqmd-3684306 | CuNOPd | data_[Cu2Pd2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1514]
_cell_length_b [5.743... |
mp-2217993 | MgMn2Ni2O6 | data_[Mg3Mn6Ni6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1656]
_cell_length_b [5.165... |
agm005606853 | Dy8Sc2Th3 | data_[Dy8Th3Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1002]
_cell_length_b [6.1054]
_cell_length_c [11.0358]
_ce... |
agm003305801 | Er3Ho2Tl2 | data_[Ho6Er9Tl6]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3626]
_cell_length_b [5.3626]
_cell_length_c [23.9547]
_c... |
agm004735410 | Li4N8NbPa3 | data_[Li12Pa9Nb3N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8887]
_cell_length_b [6.8... |
agm005404193 | Re3Tc3Y | data_[Y2Re6Tc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.8273]
_cell_length_b [6.8273]
_cell_length_c [6.8273]
_cel... |
agm006008271 | CoEr8Pd2 | data_[Er16Co2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1296]
_cell_length_b [12.9928]
_cell_length_c [5.9619]
_ce... |
agm002923733 | Fe2H2Zr | data_[Zr2Fe4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.3331]
_cell_length_b [3.3331]
_cell_length_c [8.8360]
_ce... |
agm002366772 | NpO8P2Yb | data_[Yb2Np2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Np 1.3600 1.7500 1.0000
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5855]
_cell_length_b [5.1131]
... |
agm003917041 | KOs2P | data_[K1P1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8627]
_cell_length_b [2.8627]
_cell_length_c [8.6219]
_cell_a... |
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