Ce5CdHgOs2
Alexandria ALEXAlex-ID: agm005176360 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Ce2Cd3Hg Ce5HgOs2 CeCd2 CeOs2
2023-01-21 07:57:43.574824
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176360).
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 agm005176360
data_agm005176360
_cell_length_a 7.87535
_cell_length_b 7.87535
_cell_length_c 9.34963
_cell_angle_alpha 114.90773
_cell_angle_beta 114.90773
_cell_angle_gamma 90.00000
_cell_volume 465.79872
_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 0.90422 0.40422 0.24346 1.00000
Ce2 Ce 0.66075 0.16075 0.75654 1.00000
Ce3 Ce 0.09578 0.59578 0.75654 1.00000
Ce4 Ce 0.16075 0.09578 0.75654 1.00000
Ce5 Ce 0.59578 0.66075 0.75654 1.00000
Ce6 Ce 0.83925 0.90422 0.24346 1.00000
Ce7 Ce 0.40422 0.33925 0.24346 1.00000
Ce8 Ce 0.33925 0.83925 0.24346 1.00000
Ce9 Ce 0.50000 0.50000 0.00000 1.00000
Ce10 Ce 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.25000 0.75000 0.50000 1.00000
Cd2 Cd 0.75000 0.25000 0.50000 1.00000
Hg1 Hg 0.25000 0.25000 0.50000 1.00000
Hg2 Hg 0.75000 0.75000 0.50000 1.00000
Os1 Os 0.11597 0.38403 0.00000 1.00000
Os2 Os 0.61597 0.11597 0.00000 1.00000
Os3 Os 0.38403 0.88403 1.00000 1.00000
Os4 Os 0.88403 0.61597 0.00000 1.00000
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