LaCe2(HoAs2)3
Alexandria ALEXAlex-ID: agm034262274 · 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_598_spg1
La4CeAs5 CeHo5As6 CeAs
2025-02-06 21:17:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034262274).
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 agm034262274
data_agm034262274
_cell_length_a 9.35090
_cell_length_b 9.35090
_cell_length_c 8.37054
_cell_angle_alpha 77.24582
_cell_angle_beta 102.75418
_cell_angle_gamma 154.10325
_cell_volume 311.35423
_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 0.00000 1.00000
Ce1 Ce 0.16699 0.83301 0.33339 1.00000
Ce2 Ce 0.83301 0.16699 0.66661 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.16596 0.83404 0.83291 1.00000
Ho3 Ho 0.83404 0.16596 0.16709 1.00000
As1 As 0.67045 0.32955 0.08188 1.00000
As2 As 0.33448 0.66552 0.41382 1.00000
As3 As 0.32955 0.67045 0.91812 1.00000
As4 As 0.00060 0.99940 0.73983 1.00000
As5 As 0.99940 0.00060 0.26017 1.00000
As6 As 0.66552 0.33448 0.58618 1.00000
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