AcHoHg4
Alexandria ALEXAlex-ID: agm005778430 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1118_spg47
Ho3Hg5 AcHg2 AcHg3
2023-07-28 12:10:59.368773
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778430).
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 agm005778430
data_agm005778430
_cell_length_a 3.61500
_cell_length_b 5.08466
_cell_length_c 8.75661
_cell_angle_alpha 90.00083
_cell_angle_beta 89.99915
_cell_angle_gamma 90.00210
_cell_volume 160.95580
_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
Ac1 Ac 0.99860 0.99729 0.49814 1.00000
Ho1 Ho 0.99857 0.49729 0.99814 1.00000
Hg1 Hg 0.49859 0.99727 0.15817 1.00000
Hg2 Hg 0.49849 0.99730 0.83809 1.00000
Hg3 Hg 0.49867 0.49730 0.67588 1.00000
Hg4 Hg 0.49860 0.49728 0.32040 1.00000
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