Ce5Ga2Si5
Alexandria ALEXAlex-ID: agm005665674 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_200_spg12
CeGaSi CeSi
2023-06-19 07:27:00.862888
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665674).
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 agm005665674
data_agm005665674
_cell_length_a 4.09236
_cell_length_b 7.64849
_cell_length_c 9.00579
_cell_angle_alpha 81.17173
_cell_angle_beta 76.86729
_cell_angle_gamma 74.48282
_cell_volume 263.21274
_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 0.50000 0.50000 1.00000
Ce2 Ce 0.68751 0.71971 0.90528 1.00000
Ce3 Ce 0.37189 0.95280 0.30342 1.00000
Ce4 Ce 0.62811 0.04720 0.69658 1.00000
Ce5 Ce 0.31249 0.28029 0.09472 1.00000
Ga1 Ga 0.38221 0.46762 0.76796 1.00000
Ga2 Ga 0.61779 0.53238 0.23204 1.00000
Si1 Si 0.69401 0.23380 0.37817 1.00000
Si2 Si 0.93525 0.29744 0.83206 1.00000
Si3 Si 0.06475 0.70256 0.16794 1.00000
Si4 Si 0.30599 0.76620 0.62183 1.00000
Si5 Si 0.00000 0.00000 0.00000 1.00000
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