Sc3Ga3Co2Pd
Alexandria ALEXAlex-ID: agm034774915 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
Sc7Ga7Co6 ScGaCo2 ScGaPd
2025-03-23 09:04:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034774915).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm034774915
data_agm034774915
_cell_length_a 6.34698
_cell_length_b 4.19753
_cell_length_c 22.02097
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00172
_cell_angle_gamma 90.00000
_cell_volume 586.67381
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.51443 0.00000 0.93747 1.00000
Sc2 Sc 0.51695 0.00000 0.59997 1.00000
Sc3 Sc 0.51218 0.00000 0.26881 1.00000
Sc4 Sc 0.01878 0.00000 0.90057 1.00000
Sc5 Sc 0.02257 0.00000 0.55825 1.00000
Sc6 Sc 0.02152 0.00000 0.22831 1.00000
Sc7 Sc 0.46723 0.50000 0.72465 1.00000
Sc8 Sc 0.46532 0.50000 0.39466 1.00000
Sc9 Sc 0.46275 0.50000 0.06358 1.00000
Sc10 Sc 0.96613 0.50000 0.77481 1.00000
Sc11 Sc 0.98207 0.50000 0.43989 1.00000
Sc12 Sc 0.97983 0.50000 0.10890 1.00000
Ga1 Ga 0.66946 0.00000 0.81600 1.00000
Ga2 Ga 0.65609 0.00000 0.47950 1.00000
Ga3 Ga 0.65462 0.00000 0.14846 1.00000
Ga4 Ga 0.16843 0.00000 0.68269 1.00000
Ga5 Ga 0.17397 0.00000 0.35514 1.00000
Ga6 Ga 0.17435 0.00000 0.02445 1.00000
Ga7 Ga 0.34637 0.50000 0.85976 1.00000
Ga8 Ga 0.33938 0.50000 0.52100 1.00000
Ga9 Ga 0.33536 0.50000 0.18996 1.00000
Ga10 Ga 0.84483 0.50000 0.97612 1.00000
Ga11 Ga 0.85164 0.50000 0.63878 1.00000
Ga12 Ga 0.84694 0.50000 0.30649 1.00000
Co1 Co 0.26555 0.00000 0.46290 1.00000
Co2 Co 0.26340 0.00000 0.13217 1.00000
Co3 Co 0.23549 0.50000 0.96486 1.00000
Co4 Co 0.24271 0.50000 0.62829 1.00000
Co5 Co 0.23805 0.50000 0.29712 1.00000
Co6 Co 0.73741 0.50000 0.87117 1.00000
Co7 Co 0.73263 0.50000 0.53484 1.00000
Co8 Co 0.72830 0.50000 0.20318 1.00000
Pd1 Pd 0.76608 0.00000 0.70350 1.00000
Pd2 Pd 0.76814 0.00000 0.36956 1.00000
Pd3 Pd 0.76680 0.00000 0.03858 1.00000
Pd4 Pd 0.26425 0.00000 0.79563 1.00000
