Ce4CdHg
Alexandria ALEXAlex-ID: agm005770159 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1206_spg12
Ce2Cd3 Ce2Hg Ce
2023-07-27 19:25:12.174932
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005770159).
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 agm005770159
data_agm005770159
_cell_length_a 5.14381
_cell_length_b 6.15594
_cell_length_c 6.15594
_cell_angle_alpha 100.03877
_cell_angle_beta 65.30665
_cell_angle_gamma 65.30667
_cell_volume 145.83411
_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 0.75138 0.57174 0.92544 1.00000
Ce2 Ce 0.75138 0.92544 0.57174 1.00000
Ce3 Ce 0.24856 0.42826 0.07456 1.00000
Ce4 Ce 0.24856 0.07456 0.42826 1.00000
Cd1 Cd 0.99997 0.00000 0.00000 1.00000
Hg1 Hg 0.49997 0.50000 0.50000 1.00000
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