CePrHg3
Alexandria ALEXAlex-ID: agm005897366 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4829_spg63
CePrHg4 PrHg Ce
2023-07-03 06:15:40.781934
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005897366).
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 agm005897366
data_agm005897366
_cell_length_a 3.53430
_cell_length_b 5.04053
_cell_length_c 15.17459
_cell_angle_alpha 90.00000
_cell_angle_beta 96.68754
_cell_angle_gamma 90.00000
_cell_volume 268.49156
_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 0.21318 0.75000 0.42635 1.00000
Ce2 Ce 0.78682 0.25000 0.57365 1.00000
Pr1 Pr 0.92623 0.75000 0.85247 1.00000
Pr2 Pr 0.07377 0.25000 0.14753 1.00000
Hg1 Hg 0.62106 0.75000 0.24212 1.00000
Hg2 Hg 0.37894 0.25000 0.75788 1.00000
Hg3 Hg 0.52397 0.75000 0.04794 1.00000
Hg4 Hg 0.47603 0.25000 0.95206 1.00000
Hg5 Hg 0.67623 0.25000 0.35245 1.00000
Hg6 Hg 0.32377 0.75000 0.64755 1.00000
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