Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004569536 | La2MgPm2Sm4 | data_[La2Pm2Sm4Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5435]
_cell_length_b [6.60... |
agm004798806 | Ag2GaHgTm4 | data_[Tm12Ga3Ag6Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0867]
_cell_length_b [5.... |
oqmd-5894697 | AlMn3Te6 | data_[Mn3Al1Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9687]
_cell_length_b [4.0320]
_cell_length_c [9.9059]
_cell... |
oqmd-5423644 | Cr2HfV | data_[Hf4V4Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0834]
_cell_length_b [6.0834]
_cell_length_c [6.0834]
_cel... |
agm004938844 | Rb2Se6ThU | data_[Rb8Th4U4Se24]
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
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1274]
_cell_length_b [11... |
agm004544637 | Ac2Nd2PtRh2 | data_[Ac4Nd4Pt2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3237]
_cell_length_b [4.... |
agm003009256 | Ag2LaRb2 | data_[Rb4La2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0537]
_cell_length_b [8.0537]
_cell_length_c [5.9142]
_... |
agm003876517 | Al2ClSi | data_[Al4Si2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9063]
_cell_length_b [4.6843]
_cell_length_c [11.1037]
_c... |
agm004694387 | Cr3Li3S8W | data_[Li9Cr9W3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8851]
_cell_length_b [6.8851... |
agm001483374 | AlCuScW2 | data_[Sc1Al1Cu1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6237]
_cell_length_b [4.6... |
oqmd-8994964 | GaNaSnTe3 | data_[Na4Ga4Sn4Te12]
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
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3891]
_cell_length_b [14... |
oqmd-7403951 | KNiS3Zr | data_[K4Zr4Ni4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6669]
_cell_length_b [14.429... |
agm004625706 | Er2Na3O6Pr | data_[Na6Pr2Er4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0072]
_cell_length_b [10.4... |
agm004406863 | Al2AuW | data_[Al4W2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.7367]
_cell_length_b [3.7367]
_cell_length_c [9.0295]
_cel... |
agm003393750 | Dy2Er2Mg | data_[Dy8Er8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.0786]
_cell_length_b [5.0786]
_cell_length_c [24.9509... |
agm004049367 | BaBrPb | data_[Ba1Pb1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5997]
_cell_length_b [5.5997]
_cell_length_c [4.0803]
_c... |
agm001562257 | CGeIn2Si | data_[In2Si1Ge1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6313]
_cell_length_b [5.6... |
agm005822653 | PmRbS4 | data_[Rb2Pm2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pm 1.1300 1.8500 1.1100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0678]
_cell_length_b [6.0678]
_cell_length_c [8.3870]
_ce... |
agm005640052 | Mo3Tc2V4 | data_[V16Tc8Mo12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4705]
_cell_length_b [9.7749]
_cell_length_c [4.7581]
_c... |
agm003707130 | AuCe3Ge | data_[Ce12Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7510]
_cell_length_b [16.3933]
_cell_length_c [4.3683]
_... |
agm002997929 | Mo2Sb2Sn | data_[Sn2Sb4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6470]
_cell_length_b [7.6470]
_cell_length_c [3.4741]
_... |
oqmd-3056659 | AsErFe | data_[Er4Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2598]
_cell_length_b [6.2598]
_cell_length_c [6.2598]
_c... |
oqmd-3304506 | AsNiPtTi | data_[Ti4Ni4As4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1716]
_cell_length_b [6.... |
agm002986307 | KRb2Tc2 | data_[K2Rb4Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.7604]
_cell_length_b [10.7604]
_cell_length_c [3.1141]
_... |
agm002920002 | F2La2S | data_[La4S2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8091]
_cell_length_b [4.8091]
_cell_length_c [8.5700]
_cell... |
agm005589307 | Er2Nd4Sm3 | data_[Nd4Sm3Er2]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2722]
_cell_length_b [6.2736]
_cell_length_c [9.5889]
_cel... |
oqmd-9224424 | Co3Lu4N3W2 | data_[Lu16Co12W8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8801]
_cell_length_b [6.04... |
agm003441326 | Cl4CrTl2 | data_[Tl4Cr2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.3712]
_cell_length_b [7.3712]
_cell_length_c [8.3708]
_... |
agm002599876 | AuPSi3 | data_[Si3P1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4848]
_cell_length_b [4.4848]
_cell_length_c [4.4848]
_cel... |
agm006102909 | Pt3SiSr4 | data_[Sr4Si1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4036]
_cell_length_b [4.5123]
_cell_length_c [11.2672]
_c... |
agm004729056 | Ac8Cl4Os3S | data_[Ac24Os9S3Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Os 2.2000 1.3000 0.6730
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7397]
_cell_length_b [8.7... |
agm005740743 | ISeTl3 | data_[Tl18Se6I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7434]
_cell_length_b [7.7434]
_cell_length_c [22.3342]
_cel... |
agm2000028096 | FeI2 | data_[Fe2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.3584]
_cell_length_b [3.8057]
_cell_length_c [20.1194]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005798676 | AgCsK6 | data_[Cs2K12Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6546]
_cell_length_b [12.4567]
_cell_length_c [18.6107]
_c... |
oqmd-3301694 | BCdLuNi | data_[Lu4Cd4Ni4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2786]
_cell_length_b [6.27... |
agm003798964 | Ag2NiRe | data_[Re3Ni3Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7878]
_cell_length_b [2.7878]
_cell_length_c [27.5386]
_ce... |
agm003463735 | HgHo2Pm4 | data_[Pm8Ho4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5710]
_cell_length_b [3.5716]
_cell_length_c [8.5677]
_c... |
agm002314979 | PdSe2Tb6 | data_[Tb6Pd1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2363]
_cell_length_b [8.2363]
_cell_length_c [3.8649]
_c... |
agm001833808 | CuInNa | data_[Na2In2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3606]
_cell_length_b [3.3606]
_cell_length_c [11.4845]
_c... |
agm003134812 | PtRbRe | data_[Rb4Re4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Re 1.9000 1.3500 0.7125
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.1181]
_cell_length_b [4.0266]
_cell_length_c [4.4767]
_c... |
agm001132307 | Sm2TeZn | data_[Sm2Zn1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9001]
_cell_length_b [3.9001]
_cell_length_c [6.9389]
_... |
agm004175424 | BaCl2Co | data_[Ba1Co1Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8655]
_cell_length_b [3.8655]
_cell_length_c [6.7178]
_ce... |
agm004360399 | AuTlW2 | data_[Tl2W4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.4873]
_cell_length_b [4.5117]
_cell_length_c [9.2099]
_cell... |
agm005771033 | Ni5ScSn | data_[Sc4Ni20Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8999]
_cell_length_b [4.7684]
_cell_length_c [10.1942]
_... |
oqmd-5039839 | B2CdGa | data_[Cd4Ga4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1395]
_cell_length_b [6.1395]
_cell_length_c [6.1395]
_cel... |
agm005701893 | BiOY | data_[Y2Bi2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8122]
_cell_length_b [3.8122]
_cell_length_c [10.8321]
_cell... |
agm004493271 | AuNp3O12Tl2 | data_[Np9Tl6Au3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0415]
_cell_length_b [8.04... |
agm001769864 | ClORhS2 | data_[Rh1S2Cl1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5529]
_cell_length_b [4.552... |
oqmd-5558866 | F6NiRb3 | data_[Rb6Ni2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.9872]
_cell_length_b [5.9872]
_cell_length_c [9.2185]
_cel... |
agm003448509 | Au2Pd4Tm | data_[Tm2Pd8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1731]
_cell_length_b [8.3801]
_cell_length_c [3.7902]
_ce... |
agm001831386 | AcAuY | data_[Ac2Y2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7578]
_cell_length_b [3.7578]
_cell_length_c [13.2170]
_cel... |
oqmd-3656796 | NOOsRe | data_[Re2Os2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8264]
_cell_length_b [3.826... |
agm003302949 | Pb2Pd15Pm2 | data_[Pm6Pd45Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3421]
_cell_length_b [9.3421]
_cell_length_c [13.8924]
_... |
oqmd-10013151 | ErGd2N6V2 | data_[Gd4Er2V4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7862]
_cell_length_b [3.78... |
agm004943967 | Ac2DyHg6Sc | data_[Ac8Dy4Sc4Hg24]
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
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9704]
_cell_length_b [... |
agm005534212 | Cd4Sc3 | data_[Sc9Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9664]
_cell_length_b [4.9664]
_cell_length_c [23.6445]
_cell_angle_alpha [90.0000]
_cell... |
agm006116875 | Ga5Nd4Sc | data_[Nd4Sc1Ga5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5975]
_cell_length_b [3.5975]
_cell_length_c [18.4881]
... |
agm005583661 | Cd2Te9Tl14 | data_[Tl14Cd2Te9]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.6583]
_cell_length_b [9.6583]
_cell_length_c [12.3349]
_c... |
agm005799871 | DyI5Pu | data_[Dy2Pu2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3156]
_cell_length_b [4.2784]
_cell_length_c [14.9404]
_... |
agm002936465 | HgNb2Tl2 | data_[Nb4Tl4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1653]
_cell_length_b [4.1653]
_cell_length_c [13.5756]
... |
agm004158650 | AlMnSc2 | data_[Sc6Mn3Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0804]
_cell_length_b [3.0804]
_cell_length_c [28.3024]
_ce... |
agm005555426 | Ag2H2I3 | data_[Ag2H2I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7832]
_cell_length_b [5.2809]
_cell_length_c [6.8786]
_cell_a... |
agm004639105 | Cs3HoPu2Se6 | data_[Cs6Ho2Pu4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4705]
_cell_length_b [12... |
agm002322825 | Co2V3Zn | data_[V3Zn1Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.5951]
_cell_length_b [2.5951]
_cell_length_c [11.0400]
_c... |
agm001997474 | HPt2Zr | data_[Zr3H3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9267]
_cell_length_b [2.9267]
_cell_length_c [23.4423]
_cel... |
oqmd-3158303 | PbPrSi | data_[Pr4Si4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2303]
_cell_length_b [7.2303]
_cell_length_c [7.2303]
_c... |
agm005794131 | MgPm2Rh | data_[Pm8Mg4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0302]
_cell_length_b [14.5734]
_cell_length_c [7.4961]
_c... |
agm002836150 | CHZr2 | data_[Zr8H4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6930]
_cell_length_b [5.6930]
_cell_length_c [6.6407]
_cell_... |
agm002291494 | N6Pr3Sc2 | data_[Pr12Sc8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5439]
_cell_length_b [5.8337]
_cell_length_c [21.2692]
_c... |
agm004131551 | LiWZr2 | data_[Li2Zr4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3090]
_cell_length_b [9.1800]
_cell_length_c [2.7211]
_cell... |
agm003469241 | RuTb5Tl2 | data_[Tb20Tl8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4633]
_cell_length_b [16.6287]
_cell_length_c [12.4243]
... |
agm005106642 | RuSTh2 | data_[Th6Ru3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9971]
_cell_length_b [3.9971]
_cell_length_c [22.1691]
_cell... |
agm003026336 | Sb2V2Zn | data_[V4Zn2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6793]
_cell_length_b [7.6793]
_cell_length_c [3.2459]
_ce... |
agm2000099289 | N3SmYb2 | data_[Yb2Sm1N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sm 1.1700 1.8500 1.2290
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4267]
_cell_length_b [3.4267]
_cell_length_c [20.0470]
_c... |
agm001575365 | CsPSe2Zn | data_[Cs1Zn1P1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9766]
_cell_length_b [4.9... |
oqmd-4568897 | AuS3SnTm | data_[Tm4Sn4Au4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0132]
_cell_length_b [14.1... |
agm004121347 | BeMg2P | data_[Mg2Be1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2024]
_cell_length_b [3.2024]
_cell_length_c [6.6196]
_cell... |
oqmd-4615082 | CoInNdS3 | data_[Nd4In4Co4S12]
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
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9462]
_cell_length_b [13.8... |
agm005666986 | Ba2Ga7Mg12 | data_[Ba2Mg12Ga7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.3107]
_cell_length_b [11.3107]
_cell_length_c [4.4974]
_... |
agm005460663 | CdLi4Mn | data_[Li16Mn4Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3144]
_cell_length_b [7.3144]
_cell_length_c [7.3144]
_... |
agm006008848 | Hg2Pm4Sn | data_[Pm12Sn3Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3260]
_cell_length_b [5.3260]
_cell_length_c [26.1142]
_... |
mp-1209020 | Ca2Cu3GaO9Sr2 | data_[Sr8Ca8Ga4Cu12O36]
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
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_lengt... |
agm005578754 | Ni3Rh2Ta3 | data_[Ta3Ni3Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7598]
_cell_length_b [6.7598]
_cell_length_c [3.0501]
_c... |
agm003704216 | Pr7SmTm12 | data_[Pr21Sm3Tm36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9679]
_cell_length_b [11.9679]
_cell_length_c [16.2253]... |
agm002608845 | HfSrZr3 | data_[Sr1Hf1Zr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1196]
_cell_length_b [5.1196]
_cell_length_c [5.1196]
_c... |
agm004624799 | Nd2NpO6Rb3 | data_[Rb6Nd4Np2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3147]
_cell_length_b [10.9... |
oqmd-7005821 | CoIrPu | data_[Pu4Co4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0424]
_cell_length_b [6.0424]
_cell_length_c [6.0424]
_c... |
agm003810058 | MgNiSb2 | data_[Mg2Ni2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.1831]
_cell_length_b [7.5501]
_cell_length_c [3.5328]
_ce... |
agm002846039 | HgKLi2 | data_[K4Li8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.0604]
_cell_length_b [5.0604]
_cell_length_c [19.8626]
_ce... |
agm002960221 | Be2C2Tl | data_[Be4Tl2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7003]
_cell_length_b [6.7003]
_cell_length_c [2.8622]
_ce... |
agm002795195 | BMn2Sr | data_[Sr8Mn16B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.6483
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.9112]
_cell_length_b [8.9112]
_cell_length_c [8.9112]
_ce... |
agm005091818 | BaHgI6Zr | data_[Ba2Zr2Hg2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.3352]
_cell_length_b [8.3... |
agm2000126600 | Bi3Cr | data_[Cr2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3340]
_cell_length_b [6.4807]
_cell_length_c [20.4791]
_cell_angle_alpha [90.0000]
_cell_... |
agm006036222 | In2S4Y | data_[Y4In8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.6652]
_cell_length_b [8.6652]
_cell_length_c [8.5032]
_c... |
agm001109409 | CeI3Rb | data_[Rb1Ce1I3]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.3257]
_cell_length_b [6.3257]
_cell_length_c [6.3257]
_cel... |
agm001461956 | AgOs2RuSi | data_[Si1Ag1Os2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
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 [4.4191]
_cell_length_b [4... |
agm004066148 | AlAs2Y | data_[Y4Al4As8]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0162]
_cell_length_b [7.0162]
_cell_length_c [7.0162]
_cel... |
agm001637568 | CoGa2NaTl | data_[Na1Tl1Ga2Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6340]
_cell_length_b [4... |
agm002656608 | CaCrOs2 | data_[Ca4Cr4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2659]
_cell_length_b [6.2659]
_cell_length_c [6.2659]
_c... |
agm003523481 | I8PrY2 | data_[Pr2Y4I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5104]
_cell_length_b [8.9914]
_cell_length_c [7.4322]
_cell... |
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