Ce2Ga4FeSi2
Alexandria ALEXAlex-ID: agm004567232 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_166_spg139
CeFeSi3 CeGa3 CeFeSi2 FeSi
2022-06-19 20:52:01.447918
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004567232).
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 agm004567232
data_agm004567232
_cell_length_a 6.09597
_cell_length_b 6.09597
_cell_length_c 6.09597
_cell_angle_alpha 90.58922
_cell_angle_beta 119.66040
_cell_angle_gamma 119.66040
_cell_volume 160.99504
_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 0.50000 0.75000 0.25000 1.00000
Ce2 Ce 0.50000 0.25000 0.75000 1.00000
Ga1 Ga 0.00000 0.71926 0.28074 1.00000
Ga2 Ga 0.43852 0.71926 0.71926 1.00000
Ga3 Ga 0.00000 0.28074 0.71926 1.00000
Ga4 Ga 0.56148 0.28074 0.28074 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Si1 Si 1.00000 0.72701 0.72701 1.00000
Si2 Si 0.00000 0.27299 0.27299 1.00000
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