La3Ce2HoSe6
Alexandria ALEXAlex-ID: agm033777766 · 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
AB2C3D6_201_spg12
Ce3HoSe4 La3CeSe4 Ce2Ho3Se5
2025-02-26 03:25:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033777766).
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 agm033777766
data_agm033777766
_cell_length_a 9.47775
_cell_length_b 9.47775
_cell_length_c 8.49756
_cell_angle_alpha 77.06782
_cell_angle_beta 102.93218
_cell_angle_gamma 154.24892
_cell_volume 322.77506
_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
La1 La 0.50000 0.50000 0.50000 1.00000
La2 La 0.83519 0.16481 0.66735 1.00000
La3 La 0.16481 0.83519 0.33265 1.00000
Ce1 Ce 0.17048 0.82952 0.83687 1.00000
Ce2 Ce 0.82952 0.17048 0.16313 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.66142 0.33858 0.07677 1.00000
Se2 Se 0.33255 0.66745 0.41072 1.00000
Se3 Se 0.33858 0.66142 0.92323 1.00000
Se4 Se 0.99579 0.00421 0.23382 1.00000
Se5 Se 0.00421 0.99579 0.76618 1.00000
Se6 Se 0.66745 0.33255 0.58928 1.00000
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