material_id stringlengths 4 18 | formula_reduced stringlengths 1 17 | CIF stringlengths 763 1.71k | n_tokens stringclasses 445
values |
|---|---|---|---|
alex<agm004605099> | LiDy3(TmSe3)2 | data_[Li2Dy6Tm4Se12]
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
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9290]
_cell_length_b [12... | 508 |
alex<agm004516125> | Sm2Ni3Sn4Pt | data_[Sm2Ni3Sn4Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4715]
_cell_length_b [4.... | 537 |
alex<agm003346157> | Mg2Ga5Cu3 | data_[Mg8Ga20Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.4778]
_cell_length_b [11.7521]
_cell_length_c [5.3762]... | 478 |
alex<agm003523353> | MnB2F8 | data_[Mn2B4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7299]
_cell_length_b [6.0405]
_cell_length_c [4.9896]
_cell_... | 441 |
alex<agm001139746> | LaHoZn2 | data_[La1Ho1Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6454]
_cell_length_b [3.6454]
_cell_length_c [7.4216]
_... | 371 |
alex<agm004530936> | Ho2Ga3Ni4Ir | data_[Ho2Ga3Ni4Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8570]
_cell_length_b [3.... | 537 |
alex<agm004911322> | KNa2CoF8 | data_[K1Na2Co1F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7014]
_cell_length_b [5.3152]
... | 533 |
alex<agm002286956> | SrMgGe | data_[Sr3Mg3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5951]
_cell_length_b [7.5951]
_cell_length_c [4.7213]
_c... | 405 |
alex<agm001298896> | SmHoAgPt | data_[Sm4Ho4Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1709]
_cell_length_b [7.... | 434 |
alex<agm001931815> | HgBi2Pt | data_[Hg3Bi6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2289]
_cell_length_b [4.2289]
_cell_length_c [22.4357]
_c... | 376 |
alex<agm003736958> | TlSbCl4 | data_[Tl4Sb4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4762]
_cell_length_b [14.9715]
_cell_length_c [7.1359]
_... | 408 |
alex<agm003180002> | LiInPb2 | data_[Li3In3Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5275]
_cell_length_b [3.5275]
_cell_length_c [30.2001]
_c... | 376 |
alex<agm003299683> | CdIn7 | data_[Cd4In28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.5374]
_cell_length_b [9.5374]
_cell_length_c [9.5374]
_cell_angle_alpha [90.0000]
_cell... | 345 |
alex<agm003331013> | Sm3Tl3Ag2 | data_[Sm6Tl6Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5811]
_cell_length_b [4.9856]
_cell_length_c [18.2557]
_c... | 440 |
alex<agm003133308> | CsZnP | data_[Cs4Zn4P4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2701]
_cell_length_b [4.1537]
_cell_length_c [11.4813]
_cel... | 371 |
alex<agm002184042> | Sc2AgPd | data_[Sc8Ag4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7709]
_cell_length_b [6.7709]
_cell_length_c [6.7709]
_c... | 372 |
alex<agm004700786> | La3DyTm3Te8 | data_[La9Dy3Tm9Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7874]
_cell_length_b [8.... | 476 |
alex<agm004519071> | La2As3PPt4 | data_[La2As3P1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4810]
_cell_length_b [4.48... | 536 |
alex<agm002150613> | TaFeSe3 | data_[Ta2Fe2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2775]
_cell_length_b [3.4339]
_cell_length_c [9.6930]
_... | 438 |
alex<agm004897834> | RbBaAg2F8 | data_[Rb2Ba2Ag4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.3779]
_cell_length_b [6.377... | 504 |
alex<agm005055084> | RbLiMgI4 | data_[Rb2Li2Mg2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1502]
_cell_length_b [9.0... | 501 |
alex<agm004899473> | In2RuPbO8 | data_[In4Ru2Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8123]
_cell_length_b [6.96... | 503 |
alex<agm003481651> | K6RbNa2 | data_[K24Rb4Na8]
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
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [22.6073]
_cell_length_b [14.5336]
_cell_length_c [7.3856]
_c... | 443 |
alex<agm004724110> | Ca3Sm4ErSe8 | data_[Ca9Sm12Er3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2918]
_cell_length_b [8... | 513 |
alex<agm004679677> | Cs3NaFe2Cl9 | data_[Cs3Na1Fe2Cl9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3421]
_cell_length_b [7.... | 504 |
alex<agm003413949> | Ba2TiAs3 | data_[Ba8Ti4As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.9966]
_cell_length_b [9.2920]
_cell_length_c [5.7845]
_... | 408 |
alex<agm004800554> | SmAl2GaNi4 | data_[Sm3Al6Ga3Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0684]
_cell_length_b [4.... | 475 |
alex<agm004671595> | Rb3NaGe2Br9 | data_[Rb3Na1Ge2Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.8698]
_cell_length_b [7.... | 504 |
alex<agm001050078> | LaNdSc | data_[La6Nd6Sc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5748]
_cell_length_b [3.5748]
_cell_length_c [52.1527]
_c... | 373 |
alex<agm003299254> | Tb5Al | data_[Tb10Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2402]
_cell_length_b [3.7138]
_cell_length_c [8.5107]
_cell_angle_alpha [90.0000]
_cell... | 378 |
alex<agm004618465> | Pr6Ir2RhI3 | data_[Pr12Ir4Rh2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3294]
_cell_length_b [12.7... | 506 |
alex<agm003427203> | VFe3Co2 | data_[V4Fe12Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4499]
_cell_length_b [2.8827]
_cell_length_c [8.0111]
_ce... | 475 |
alex<agm005213426> | CaNdPSe | data_[Ca3Nd3P3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2066]
_cell_length_b [4.2066... | 436 |
alex<agm001380961> | LiSmBiRh | data_[Li4Sm4Bi4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8520]
_cell_length_b [6.... | 434 |
alex<agm003717465> | Tb3CoPb | data_[Tb6Co2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8869]
_cell_length_b [4.3925]
_cell_length_c [8.3427]
_... | 438 |
alex<agm003062681> | TlCdF3 | data_[Tl2Cd2F6]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0486]
_cell_length_b [4.0486]
_cell_length_c [14.5620]
... | 407 |
alex<agm004563818> | Rb2Zr(PdS2)2 | data_[Rb4Zr2Pd4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7610]
_cell_length_b [3.81... | 473 |
alex<agm001017885> | ScTaRu | data_[Sc4Ta4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.1394]
_cell_length_b [3.1394]
_cell_length_c [23.6854]
... | 372 |
alex<agm001989251> | DyGe2Rh | data_[Dy3Ge6Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2137]
_cell_length_b [4.2137]
_cell_length_c [14.5438]
_c... | 376 |
alex<agm001193059> | Cu5Sb | data_[Cu10Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8164]
_cell_length_b [11.3252]
_cell_length_c [3.7785]
_cell_angle_alpha [90.0000]
_cell... | 377 |
alex<agm003340912> | Ce4Tl3H2 | data_[Ce16Tl12H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8840]
_cell_length_b [9.6998]
_cell_length_c [6.6773]
_c... | 445 |
alex<agm003611308> | TbMgZn | data_[Tb2Mg2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0519]
_cell_length_b [5.0519]
_cell_length_c [6.1462]... | 372 |
alex<agm004739720> | NaTl2ZnSb2 | data_[Na2Tl4Zn2Sb4]
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
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7897]
_cell_length_b [9... | 501 |
alex<agm001129861> | Al2ZnCu | data_[Al2Zn1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8058]
_cell_length_b [2.8058]
_cell_length_c [7.5350]
_... | 371 |
alex<agm003288685> | Tb5In2 | data_[Tb15In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4077]
_cell_length_b [5.4077]
_cell_length_c [24.1882]
_cell_angle_alpha [90.0000]
_cell... | 380 |
alex<agm004898642> | CsV(GeCl4)2 | data_[Cs1V1Ge2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3656]
_cell_length_b [7.0801... | 536 |
alex<agm005090417> | SrCaZnCl6 | data_[Sr2Ca2Zn2Cl12]
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
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.7754]
_cell_length_b [6... | 440 |
alex<agm003481993> | Mg(Tl3Pb)2 | data_[Mg1Tl6Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5631]
_cell_length_b [3.5631]
_cell_length_c [24.9346]
_... | 443 |
alex<agm002316168> | EuSi2Pd3 | data_[Eu1Si2Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6680]
_cell_length_b [5.6680]
_cell_length_c [3.8082]
_... | 374 |
alex<agm004878447> | RbTlCr2O8 | data_[Rb1Tl1Cr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.4445]
_cell_length_b [5.4445... | 470 |
alex<agm003421296> | Li2In3Sn | data_[Li16In24Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1527]
_cell_length_b [10.5703]
_cell_length_c [17.5972]... | 446 |
alex<agm003404562> | Mg2Pd2Au | data_[Mg8Pd8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3581]
_cell_length_b [13.9421]
_cell_length_c [5.5462]
... | 439 |
alex<agm004950182> | Tl2NiPbO6 | data_[Tl4Ni2Pb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0218]
_cell_length_b [5.746... | 504 |
alex<agm005085717> | CaTbInBr6 | data_[Ca2Tb2In2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.4682]
_cell_length_b [7... | 440 |
alex<agm005085633> | CsDyMnBr6 | data_[Cs1Dy1Mn1Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.2144]
_cell_length_b [7.2... | 436 |
alex<agm004830398> | Ba2LaHoS4 | data_[Ba2La1Ho1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2838]
_cell_length_b [4.211... | 502 |
alex<agm005181496> | YHoZnPt | data_[Y2Ho2Zn2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4602]
_cell_length_b [3.796... | 434 |
alex<agm005033685> | RbPrBeSe3 | data_[Rb2Pr2Be2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Be 1.5700 1.0500 0.5900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7314]
_cell_length_b [4... | 501 |
alex<agm003467614> | Tb5NdDy2 | data_[Tb10Nd2Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.0916]
_cell_length_b [14.3919]
_cell_length_c [5.0675]
_... | 441 |
alex<agm004572935> | Cs2Rb(CdH3)2 | data_[Cs4Rb2Cd4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9416]
_cell_length_b [6.4... | 475 |
alex<agm003350503> | Cd2In3Cl7 | data_[Cd4In6Cl14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3396]
_cell_length_b [25.6654]
_cell_length_c [5.2103]
_... | 508 |
alex<agm003677227> | CrNi5Rh6 | data_[Cr2Ni10Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7532]
_cell_length_b [11.2984]
_cell_length_c [7.1834]
... | 476 |
alex<agm003558667> | CeHo4Er3 | data_[Ce2Ho8Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.9718]
_cell_length_b [9.9414]
_cell_length_c [9.9589]
_ce... | 471 |
alex<agm004756450> | KRb2AuO2 | data_[K2Rb4Au2O4]
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
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.1324]
_cell_length_b [11.4268... | 436 |
alex<agm004619478> | Ce2Sm3HoAs6 | data_[Ce4Sm6Ho2As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2714]
_cell_length_b [4... | 539 |
alex<agm005065188> | ZrAgAsO5 | data_[Zr4Ag4As4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4792]
_cell_length_b [9.07... | 503 |
alex<agm004872422> | AlCd(SnAs2)2 | data_[Al4Cd4Sn8As16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.6502]
_cell_length_b [9.... | 473 |
alex<agm001947321> | Pr2IrS | data_[Pr6Ir3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0998]
_cell_length_b [4.0998]
_cell_length_c [21.3904]
_cel... | 376 |
alex<agm004718514> | Y3Ho(TlS2)4 | data_[Y9Ho3Tl12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0684]
_cell_length_b [8.068... | 515 |
alex<agm005210502> | CdHgPdAu | data_[Cd1Hg1Pd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4858]
_cell_length_b [3.4... | 432 |
alex<agm003642772> | Sc5CuAu4 | data_[Sc5Cu1Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3461]
_cell_length_b [3.3461]
_cell_length_c [17.2316]
... | 473 |
alex<agm003721768> | Tm3RhAu | data_[Tm6Rh2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.1840]
_cell_length_b [6.9149]
_cell_length_c [8.5749]
_ce... | 404 |
alex<agm003407115> | Nd2InBr2 | data_[Nd6In3Br6]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1506]
_cell_length_b [4.1506]
_cell_length_c [35.1831]
_c... | 375 |
alex<agm002336033> | Fe2Co | data_[Fe8Co4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0280]
_cell_length_b [2.8428]
_cell_length_c [5.7362]
_cell_angle_alpha [90.0000]
_cell_a... | 342 |
alex<agm004960563> | DyHo2ErS6 | data_[Dy3Ho6Er3S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8696]
_cell_length_b [6.8696... | 506 |
mp-1219304 | Si6NiMo9 | data_[Si12Ni2Mo18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [9.6013]
_cell_length_b [9.6013]
_cell_length_c [4.9311]
... | 444 |
alex<agm004736998> | Sm8Co3RhCl4 | data_[Sm24Co9Rh3Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8597]
_cell_length_b [7... | 513 |
alex<agm003501106> | Nd6In2Si | data_[Nd6In2Si1]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.8147]
_cell_length_b [8.8147]
_cell_length_c [4.0640]
_c... | 407 |
alex<agm003336328> | Dy2Bi3Rh4 | data_[Dy8Bi12Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2049]
_cell_length_b [16.9216]
_cell_length_c [7.3520]
... | 444 |
alex<agm004511701> | Sr2Al4GeAu3 | data_[Sr2Al4Ge1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5492]
_cell_length_b [4.... | 537 |
alex<agm004969595> | LaTl2CuBr6 | data_[La2Tl4Cu2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9822]
_cell_length_b [... | 505 |
mp-1186318 | NdLu3 | data_[Nd2Lu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1496]
_cell_length_b [7.1496]
_cell_length_c [5.6328]
_cell_angle_alpha [90.0000]
_ce... | 310 |
alex<agm003485684> | Cd(SnI3)2 | data_[Cd2Sn4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.4729]
_cell_length_b [7.4729]
_cell_length_c [13.9684]... | 411 |
alex<agm001258879> | HoBeGe | data_[Ho1Be1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9099]
_cell_length_b [3.9099]
_cell_length_c [4.0278]
_c... | 371 |
alex<agm003540091> | Be9NbMo2 | data_[Be27Nb3Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4550]
_cell_length_b [4.4550]
_cell_length_c [20.9080]
_... | 446 |
alex<agm003691830> | Li6ZrPd12 | data_[Li18Zr3Pd36]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1111]
_cell_length_b [12.1111]
_cell_length_c [6.8083]
... | 417 |
alex<agm003623799> | Ce2SiIr | data_[Ce4Si2Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8631]
_cell_length_b [4.1261]
_cell_length_c [8.3036]
_... | 405 |
alex<agm004780002> | NaLi(ScTe2)2 | data_[Na4Li4Sc8Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2260]
_cell_length_b [13... | 507 |
alex<agm004697241> | TbPr3Dy3S8 | data_[Tb3Pr9Dy9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9357]
_cell_length_b [7.93... | 478 |
alex<agm003267248> | Zn8Ru | data_[Zn16Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2836]
_cell_length_b [8.2836]
_cell_length_c [3.8118]
_cell_angle_alpha [90.0000]
_cel... | 344 |
alex<agm003587311> | K3InHg8 | data_[K9In3Hg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3376]
_cell_length_b [6.3376]
_cell_length_c [32.1861]
_cel... | 543 |
alex<agm005003916> | BaTl2InSn | data_[Ba2Tl4In2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7656]
_cell_length_b [5.2... | 468 |
alex<agm002262814> | Tm(CoAs)2 | data_[Tm2Co4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9666]
_cell_length_b [3.9666]
_cell_length_c [9.8667]
_... | 374 |
alex<agm003492098> | Tb6Tm2Al | data_[Tb12Tm4Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.0689]
_cell_length_b [10.0689]
_cell_length_c [5.30... | 410 |
alex<agm003170263> | CdInAu2 | data_[Cd4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.0678]
_cell_length_b [7.1858]
_cell_length_c [7.4651]
_ce... | 371 |
alex<agm003630278> | CePrAu2 | data_[Ce2Pr2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7785]
_cell_length_b [3.9031]
_cell_length_c [11.3950]
_c... | 405 |
alex<agm005177893> | NaCa2RhO5 | data_[Na2Ca4Rh2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8328]
_cell_length_b [5.80... | 471 |
alex<agm002092110> | BaLiCa | data_[Ba4Li4Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3385]
_cell_length_b [18.5296]
_cell_length_c [6.2591]
_c... | 371 |
alex<agm003165270> | Zr3Mn | data_[Zr3Mn1]
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 0.8775
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2534]
_cell_length_b [3.2534]
_cell_length_c [7.4830]
_cell_angle_alpha [90.0000]
_cell... | 341 |
mp-20001 | SrSnPt | data_[Sr4Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7325]
_cell_length_b [4.7703]
_cell_length_c [8.1118]
_ce... | 370 |
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