Sr2Hg3Rh
Alexandria ALEXAlex-ID: agm005819682 · 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_1923_spg8
SrHg2 SrRh2
2023-08-25 02:21:54.848623
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005819682).
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 agm005819682
data_agm005819682
_cell_length_a 4.91650
_cell_length_b 6.17846
_cell_length_c 6.36818
_cell_angle_alpha 76.82580
_cell_angle_beta 67.29286
_cell_angle_gamma 66.55467
_cell_volume 163.08331
_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 0.54258 0.20563 0.70920 1.00000
Sr2 Sr 0.44949 0.80443 0.29658 1.00000
Hg1 Hg 0.85922 0.61287 0.66870 1.00000
Hg2 Hg 0.81789 0.22983 0.13438 1.00000
Hg3 Hg 0.16356 0.75859 0.91429 1.00000
Rh1 Rh 0.16725 0.38865 0.27685 1.00000
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