Ce5Hf3P
Alexandria ALEXAlex-ID: agm072575358 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_865_spg8
Hf3P Ce
2024-09-24 18:18:03.975822
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072575358).
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 agm072575358
data_agm072575358
_cell_length_a 6.14237
_cell_length_b 6.37859
_cell_length_c 6.64555
_cell_angle_alpha 79.27602
_cell_angle_beta 70.46400
_cell_angle_gamma 63.03186
_cell_volume 218.51421
_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 0.27326 0.12748 0.09526 1.00000
Ce2 Ce 0.39065 0.16253 0.62146 1.00000
Ce3 Ce 0.85060 0.41014 0.42863 1.00000
Ce4 Ce 0.26682 0.76093 0.40558 1.00000
Ce5 Ce 0.82666 0.85166 0.31737 1.00000
Hf1 Hf 0.85611 0.08513 0.82160 1.00000
Hf2 Hf 0.32261 0.62136 0.89623 1.00000
Hf3 Hf 0.82573 0.61294 0.89721 1.00000
P1 P 0.60719 0.33479 0.16129 1.00000
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