Ce3Ga7Co2
Alexandria ALEXAlex-ID: agm025763136 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
Ce5Ga11Co6 CeGa2 CeGa3
2025-05-15 21:21:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025763136).
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}
}
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# CIF generated by HEAS from Alexandria entry agm025763136
data_agm025763136
_cell_length_a 5.37782
_cell_length_b 5.37782
_cell_length_c 9.19287
_cell_angle_alpha 73.20789
_cell_angle_beta 106.79211
_cell_angle_gamma 119.66591
_cell_volume 217.73850
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.14621 0.85379 0.94937 1.00000
Ce3 Ce 0.85379 0.14621 0.05063 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ga2 Ga 0.57754 0.93417 0.72359 1.00000
Ga3 Ga 0.57779 0.42221 0.72337 1.00000
Ga4 Ga 0.06583 0.42246 0.72359 1.00000
Ga5 Ga 0.42246 0.06583 0.27641 1.00000
Ga6 Ga 0.93417 0.57754 0.27641 1.00000
Ga7 Ga 0.42221 0.57779 0.27663 1.00000
Co1 Co 0.33594 0.66406 0.51040 1.00000
Co2 Co 0.66406 0.33594 0.48960 1.00000
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