Ce4HgPt2
Alexandria ALEXAlex-ID: agm003458034 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_914_spg166
Ce2Hg CePt
2022-02-28 17:33:41.499638
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458034).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003458034
data_agm003458034
_cell_length_a 4.20588
_cell_length_b 4.20588
_cell_length_c 12.92905
_cell_angle_alpha 80.63913
_cell_angle_beta 80.63913
_cell_angle_gamma 60.00000
_cell_volume 194.54171
_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 0.39205 0.39205 0.82384 1.00000
Ce2 Ce 0.19253 0.19253 0.42241 1.00000
Ce3 Ce 0.80747 0.80747 0.57759 1.00000
Ce4 Ce 0.60795 0.60795 0.17616 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.10027 0.10027 0.69920 1.00000
Pt2 Pt 0.89973 0.89973 0.30080 1.00000
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