Hg3SbAu2
Alexandria ALEXAlex-ID: agm005692901 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1099_spg12
SbAu Hg Au
2023-08-24 18:24:26.738694
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692901).
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 agm005692901
data_agm005692901
_cell_length_a 4.91898
_cell_length_b 8.10919
_cell_length_c 10.48638
_cell_angle_alpha 49.86070
_cell_angle_beta 76.43540
_cell_angle_gamma 72.34428
_cell_volume 304.27475
_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
Hg1 Hg 0.07517 0.03613 0.81353 1.00000
Hg2 Hg 0.92483 0.96387 0.18647 1.00000
Hg3 Hg 0.68632 0.69845 0.92892 1.00000
Hg4 Hg 0.31368 0.30155 0.07108 1.00000
Hg5 Hg 0.80219 0.84591 0.54970 1.00000
Hg6 Hg 0.19781 0.15409 0.45030 1.00000
Sb1 Sb 0.43019 0.43097 0.70866 1.00000
Sb2 Sb 0.56981 0.56903 0.29134 1.00000
Au1 Au 0.87839 0.38567 0.85755 1.00000
Au2 Au 0.12161 0.61433 0.14245 1.00000
Au3 Au 0.61162 0.16438 0.61238 1.00000
Au4 Au 0.38838 0.83562 0.38762 1.00000
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