Sr2Hg3Au
Alexandria ALEXAlex-ID: agm017709241 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_8_spg166
Sr3(Hg2Au)2 SrHg2
2025-04-13 17:48:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017709241).
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 agm017709241
data_agm017709241
_cell_length_a 6.24175
_cell_length_b 6.24175
_cell_length_c 7.71578
_cell_angle_alpha 55.84383
_cell_angle_beta 124.15617
_cell_angle_gamma 134.44923
_cell_volume 170.21952
_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
Sr1 Sr 0.45243 0.54757 0.69896 1.00000
Sr2 Sr 0.54147 0.45853 0.28769 1.00000
Hg1 Hg 0.15454 0.84546 0.68268 1.00000
Hg2 Hg 0.17103 0.82897 0.11596 1.00000
Hg3 Hg 0.83613 0.16387 0.89844 1.00000
Au1 Au 0.84335 0.15665 0.31626 1.00000
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