Ce3Ho2S5
Alexandria ALEXAlex-ID: agm044146436 · 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
A2B3C5_230_spg12
Ce2HoS3 CeHo2S3
2025-02-06 17:00:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044146436).
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 agm044146436
data_agm044146436
_cell_length_a 6.86973
_cell_length_b 6.86973
_cell_length_c 9.78477
_cell_angle_alpha 61.61072
_cell_angle_beta 118.38928
_cell_angle_gamma 146.60674
_cell_volume 220.62991
_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 0.00000 0.50000 1.00000
Ce2 Ce 0.79595 0.20405 0.69716 1.00000
Ce3 Ce 0.20405 0.79595 0.30284 1.00000
Ho1 Ho 0.59814 0.40186 0.89939 1.00000
Ho2 Ho 0.40186 0.59814 0.10061 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.40390 0.59610 0.60847 1.00000
S3 S 0.59610 0.40390 0.39153 1.00000
S4 S 0.19920 0.80080 0.81145 1.00000
S5 S 0.80080 0.19920 0.18855 1.00000
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