Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm2000093459 | SeTa3Te2 | data_[Ta6Te4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2711]
_cell_length_b [3.4916]
_cell_length_c [19.2129]
_ce... |
oqmd-9181006 | LiO3V2 | data_[Li2V4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9740]
_cell_length_b [4.2686]
_cell_length_c [9.0932]
_cell_a... |
agm002834080 | GeIr2Se | data_[Ge4Ir8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4406]
_cell_length_b [5.4406]
_cell_length_c [11.5204]
_... |
agm004521386 | Ca2Ga4Pd3Si | data_[Ca2Ga4Si1Pd3]
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
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1310]
_cell_length_b [4.... |
agm005755620 | Ce3OsRu | data_[Ce12Os4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8903]
_cell_length_b [4.4984]
_cell_length_c [9.1223]
_... |
oqmd-4115667 | Tl | data_[Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3496]
_cell_length_b [6.4811]
_cell_length_c [5.5902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
agm006072559 | Er12PuSm5 | data_[Sm10Er24Pu2]
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
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3486]
_cell_length_b [10.5849]
_cell_length_c [6.1209]... |
agm004645627 | Np2PdTe6Tl3 | data_[Np4Tl6Te12Pd2]
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
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5422]
_cell_length_b [12... |
agm001571818 | In2RhSiTe | data_[In2Si1Te1Rh1]
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
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7041]
_cell_length_b [5... |
oqmd-4117479 | Ce | data_[Ce6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2474]
_cell_length_b [4.2474]
_cell_length_c [13.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
agm005830395 | B4HfRu | data_[Hf4B16Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2329]
_cell_length_b [9.1707]
_cell_length_c [3.4344]
_cel... |
agm001536098 | AlPb2ReV | data_[Al1V1Re1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2994]
_cell_length_b [5.2... |
agm001298202 | CuPtTbZr | data_[Tb4Zr4Cu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8155]
_cell_length_b [6.... |
agm002841766 | CsK2Rh | data_[Cs4K8Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.6576]
_cell_length_b [8.6576]
_cell_length_c [13.5520]
... |
agm004292389 | MoScW2 | data_[Sc3Mo3W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0030]
_cell_length_b [3.0030]
_cell_length_c [26.8508]
_cel... |
agm005042348 | ErGaGeNi3 | data_[Er4Ga4Ni12Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.1311]
_cell_length_b [11... |
agm002475004 | Fe3GePb | data_[Fe3Ge1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5000]
_cell_length_b [4.5000]
_cell_length_c [4.5000]
_c... |
agm001043835 | AuCeIr | data_[Ce4Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8572]
_cell_length_b [5.2872]
_cell_length_c [13.9451]
_c... |
agm001918680 | MnPuUZn | data_[Pu4U4Mn4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5535]
_cell_length_b [6.55... |
agm002049509 | BrCSc | data_[Sc2C2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5815]
_cell_length_b [3.8372]
_cell_length_c [10.4482]
_cell_... |
agm003683963 | Nd12Pr6Y | data_[Pr18Nd36Y3]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3950]
_cell_length_b [12.3950]
_cell_length_c [15.4214]
_... |
agm004929880 | Ac2CuPdZn6 | data_[Ac8Zn24Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.6006]
_cell_length_b [9... |
agm005508585 | Al2Mg8P | data_[Mg16Al4P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6025]
_cell_length_b [6.3828]
_cell_length_c [7.9261]
_cel... |
oqmd-4721852 | AgHoSe3Sr | data_[Sr4Ho4Ag4Se12]
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
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7978]
_cell_length_b [4... |
mp-2218270 | MgO7V2Y2 | data_[Y4Mg2V4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.4686]
_cell_length_b [9.9516]
_c... |
oqmd-6359603 | Ba2CaH6Sc | data_[Ba8Ca4Sc4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5883]
_cell_length_b [8.5... |
agm003983595 | CuPSc2 | data_[Sc6Cu3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7722]
_cell_length_b [3.7722]
_cell_length_c [18.7781]
_cel... |
agm001459270 | Ga2IrRuSn | data_[Ga2Sn1Ir1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7317]
_cell_length_b [4... |
agm002181142 | EuRu | data_[Eu1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4688]
_cell_length_b [3.4688]
_cell_length_c [3.4688]
_cell_angle_alpha [90.0000]
_cell_... |
agm005414726 | Al2Tl3 | data_[Al6Tl9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3101]
_cell_length_b [3.3101]
_cell_length_c [40.2620]
_cell_angle_alpha [90.0000]
_cell_... |
agm006084577 | Cd6NaTb5 | data_[Na2Tb10Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3002]
_cell_length_b [15.8322]
_cell_length_c [7.5192]
... |
agm001438217 | Ag2BiKZn | data_[K1Zn1Ag2Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1534]
_cell_length_b [5.1... |
agm004678989 | Al2AuCe3Ga9 | data_[Ce3Al2Ga9Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7956]
_cell_length_b [5.... |
agm002559824 | OPd3Tl | data_[Tl1Pd3O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0972]
_cell_length_b [5.0972]
_cell_length_c [5.0972]
_cel... |
agm003934262 | As2MgRh | data_[Mg3As6Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2342]
_cell_length_b [3.2342]
_cell_length_c [24.1413]
_ce... |
agm002670585 | AsF2Pt | data_[As4Pt4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9959]
_cell_length_b [5.9959]
_cell_length_c [5.9959]
_cel... |
agm004811112 | Na2PmS4Ti | data_[Na2Pm1Ti1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pm 1.1300 1.8500 1.1100
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6917]
_cell_length_b [3.848... |
agm005852988 | Pd2PtTi2 | data_[Ti4Pd4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7202]
_cell_length_b [15.0692]
_cell_length_c [2.8484]
_c... |
agm005102788 | GeSTb2 | data_[Tb6Ge3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0064]
_cell_length_b [4.0064]
_cell_length_c [21.0857]
_cell... |
agm2000079684 | BaNNa | data_[Ba3Na3N3]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8844]
_cell_length_b [11.0666]
_cell_length_c [18.0731]
_cell... |
agm003590482 | Ga4Pd12Pr | data_[Pr2Ga8Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.5552]
_cell_length_b [8.5552]
_cell_length_c [8.5552]
_c... |
agm003800445 | LaMoTc2 | data_[La2Tc4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2169]
_cell_length_b [3.1489]
_cell_length_c [5.8358]
_ce... |
agm002662373 | Co2GaI | data_[Ga4Co8I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2775]
_cell_length_b [6.2775]
_cell_length_c [6.2775]
_cel... |
mp-761568 | CoO3Rb2 | data_[Rb8Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.3495]
_cell_length_b [7.4001]
_cell_length_c [5.4109]
_... |
agm2000132696 | I6Pb2Tb | data_[Tb1Pb2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.2701]
_cell_length_b [8.2701]
_cell_length_c [18.4259]
_ce... |
agm004124525 | BrLiSi2 | data_[Li1Si2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.2816]
_cell_length_b [4.8516]
_cell_length_c [5.1522]
_ce... |
agm001142122 | Li2MgNd | data_[Li2Nd1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5759]
_cell_length_b [3.5759]
_cell_length_c [7.4897]
_... |
agm002466198 | Au3FLa | data_[La1Au3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7857]
_cell_length_b [5.7857]
_cell_length_c [5.7857]
_cel... |
agm003968265 | Ni2SeTe | data_[Ni6Te3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6718]
_cell_length_b [3.6718]
_cell_length_c [17.5028]
_c... |
agm001475608 | B2BaBrTe | data_[Ba1B2Te1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5391]
_cell_length_b [4.5... |
agm004525798 | Ag3Ga4SnSr2 | data_[Sr2Ga4Ag3Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4822]
_cell_length_b [4.... |
agm003765300 | CdNdPm6 | data_[Pm18Nd3Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5411]
_cell_length_b [9.5411]
_cell_length_c [10.1570]
_c... |
agm005765140 | F5KN | data_[K2N2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1408]
_cell_length_b [5.1466]
_cell_length_c [10.3220]
_cell_an... |
agm003975840 | CuHgSb2 | data_[Cu1Hg1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0216]
_cell_length_b [4.2688]
_cell_length_c [5.5056]
_ce... |
agm001999394 | CdErNa2 | data_[Na6Er3Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3354]
_cell_length_b [3.3354]
_cell_length_c [36.9241]
_c... |
agm2000074416 | As3MoTl4 | data_[Tl4Mo1As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6091]
_cell_length_b [6.8449]
_cell_length_c [20.2335]
_cel... |
agm004076091 | Be2PTa | data_[Ta1Be2P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6369]
_cell_length_b [3.6369]
_cell_length_c [3.5266]
_ce... |
agm005435401 | PbTa4Tc | data_[Ta16Tc4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7131]
_cell_length_b [7.7131]
_cell_length_c [7.7131]
_... |
agm005832223 | AlGa4Rb | data_[Rb4Al4Ga16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.5994]
_cell_length_b [16.6248]
_cell_length_c [3.9118]
_... |
agm002931473 | Cl2Mg2V | data_[Mg4V2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3498]
_cell_length_b [4.3498]
_cell_length_c [11.9978]
_c... |
agm2000131341 | Br6LaPr2 | data_[La1Pr2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.0488]
_cell_length_b [7.0488]
_cell_length_c [18.8102]
_... |
oqmd-7881024 | GaGe | data_[Ga12Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4201]
_cell_length_b [4.0317]
_cell_length_c [8.3951]
_cell_angle_alpha [90.0000]
_cel... |
agm004847131 | HfN4Pu2Zr | data_[Pu2Hf1Zr1N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7736]
_cell_length_b [3.332... |
agm004721956 | Dy3Li4PuSe8 | data_[Li12Dy9Pu3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1759]
_cell_length_b [8... |
agm003683723 | Ni12PrSi6 | data_[Pr3Si18Ni36]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.4117]
_cell_length_b [10.4117]
_cell_length_c [7.8397]... |
oqmd-3354018 | BaErHg | data_[Ba4Er4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6776]
_cell_length_b [7.6776]
_cell_length_c [7.6776]
_c... |
oqmd-8168856 | C8Ge | data_[Ge8C64]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.9450]
_cell_length_b [8.5803]
_cell_length_c [20.1829]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003458026 | BiPt2Sm4 | data_[Sm16Bi4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.5974]
_cell_length_b [9.5974]
_cell_length_c [9.5179... |
oqmd-5366902 | BBa2ClN2 | data_[Ba6B3N6Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3546]
_cell_length_b [4.3546]... |
agm005697912 | Ca3Cd7Pd4 | data_[Ca6Cd14Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3823]
_cell_length_b [4.4649]
_cell_length_c [10.4247]
... |
agm004662677 | F6LiPm3Se2 | data_[Li2Pm6Se4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Se 2.5500 1.1500 1.0133
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0576]
_cell_length_b [7.8... |
agm004160102 | CaMgSb2 | data_[Ca1Mg1Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2720]
_cell_length_b [4.2720]
_cell_length_c [6.2372]
_ce... |
oqmd-3410767 | CdOPdS | data_[Cd2Pd2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6136]
_cell_length_b [4.613... |
agm004480765 | Br6NiRb2Re | data_[Rb8Re4Ni4Br24]
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
Ni 1.9100 1.3500 0.7400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5234]
_cell_length_b [... |
agm001464794 | MgTi2TlZn | data_[Mg1Ti2Tl1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8038]
_cell_length_b [4... |
oqmd-2601034 | AgBBeCu | data_[Be4Cu4Ag4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6738]
_cell_length_b [5.67... |
agm001932104 | AcPt2Th | data_[Ac3Th3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2773]
_cell_length_b [4.2773]
_cell_length_c [21.2303]
_c... |
agm004236349 | Ag2MnTa | data_[Ta2Mn2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4621]
_cell_length_b [2.8355]
_cell_length_c [5.1236]
_cell... |
agm005856440 | Ho2Pd3Th | data_[Ho4Th2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0106]
_cell_length_b [15.1121]
_cell_length_c [3.5383]
_c... |
agm003379577 | Ce3Hg4Rh4 | data_[Ce6Hg8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6764]
_cell_length_b [8.2527]
_cell_length_c [15.6678]
_c... |
agm002925734 | H2InV2 | data_[V4In2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.3763]
_cell_length_b [3.3763]
_cell_length_c [9.3019]
_cell... |
agm003817056 | BrMgTl2 | data_[Mg2Tl4Br2]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5529]
_cell_length_b [6.0959]
_cell_length_c [10.8784]
_c... |
agm001470321 | FMnMo2O | data_[Mn1Mo2O1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2411]
_cell_length_b [5.241... |
agm001229327 | Sn2TiZn | data_[Ti1Zn1Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5340]
_cell_length_b [4.5340]
_cell_length_c [3.9146]
_... |
oqmd-7248180 | CaHf2Tc | data_[Ca4Hf8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9527]
_cell_length_b [6.9527]
_cell_length_c [6.9527]
_c... |
agm004983228 | DyEr2Ho6Sm | data_[Sm4Dy4Ho24Er8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0292]
_cell_length_b [14... |
agm002815803 | ClCu2K | data_[K4Cu8Cl4]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.6475]
_cell_length_b [4.6475]
_cell_length_c [20.3842]
... |
agm005677975 | AuCe6Os2 | data_[Ce12Os4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0866]
_cell_length_b [4.9089]
_cell_length_c [8.7630]
_... |
agm005428123 | Ca2Re | data_[Ca8Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9915]
_cell_length_b [3.2088]
_cell_length_c [6.7896]
_cell_angle_alpha [90.0000]
_cell_... |
agm001553914 | IMo2STi | data_[Ti1Mo2S1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9344]
_cell_length_b [4.934... |
agm2000107405 | Cl2HfO | data_[Hf2Cl4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.8565]
_cell_length_b [3.3194]
_cell_length_c [6.7184]
_cel... |
agm002657743 | CaI2Se | data_[Ca4Se4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0130]
_cell_length_b [8.0130]
_cell_length_c [8.0130]
_cel... |
agm004199446 | CoSc2W | data_[Sc2Co1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9746]
_cell_length_b [2.9746]
_cell_length_c [8.1907]
_cell... |
agm003679468 | Er7Pb5Sn | data_[Er14Sn2Pb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.2993]
_cell_length_b [11.4912]
_cell_length_c [10.5777]... |
agm003461307 | Co2HfTi4 | data_[Hf2Ti8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0876]
_cell_length_b [13.6796]
_cell_length_c [4.0319]
_c... |
agm006186865 | In4Pb | data_[In4Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8283]
_cell_length_b [5.8283]
_cell_length_c [5.8283]
_cell_angle_alpha [90.0000]
_cell_... |
agm004969144 | AlCa2O6Os | data_[Ca2Al1Os1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4614]
_cell_length_b [5.4... |
agm001494540 | Ca2FPTl | data_[Ca2Tl1P1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6489]
_cell_length_b [5.648... |
agm003914427 | LiMgZr | data_[Li2Mg2Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.0379]
_cell_length_b [3.0379]
_cell_length_c [13.5113]
_c... |
agm002723107 | BaI2P | data_[Ba4P4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4763]
_cell_length_b [8.4763]
_cell_length_c [8.4763]
_cell_... |
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