Sr4GaHg
Alexandria ALEXAlex-ID: agm005807599 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_506_spg123
Sr4Hg3 Sr8Ga7 Sr
2023-07-28 10:00:39.364286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807599).
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 agm005807599
data_agm005807599
_cell_length_a 4.01104
_cell_length_b 4.01104
_cell_length_c 14.30708
_cell_angle_alpha 90.00084
_cell_angle_beta 90.00085
_cell_angle_gamma 89.99997
_cell_volume 230.17901
_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 0.49995 0.49996 0.87178 1.00000
Sr2 Sr 0.50005 0.50004 0.12822 1.00000
Sr3 Sr 0.99997 0.99997 0.63554 1.00000
Sr4 Sr 0.00003 0.00003 0.36446 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
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