Sr3HgBi
Alexandria ALEXAlex-ID: agm003717469 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4845_spg65
Sr5Bi3 Sr4Hg3
2022-04-18 00:07:51.536754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003717469).
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 agm003717469
data_agm003717469
_cell_length_a 4.68667
_cell_length_b 9.93230
_cell_length_c 9.93818
_cell_angle_alpha 64.99127
_cell_angle_beta 89.99876
_cell_angle_gamma 89.99874
_cell_volume 419.24370
_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 0.86370 0.39224 0.81870 1.00000
Sr2 Sr 0.86372 0.99608 0.67399 1.00000
Sr3 Sr 0.86273 0.62111 0.04864 1.00000
Sr4 Sr 0.36330 0.05308 0.10509 1.00000
Sr5 Sr 0.86271 0.76713 0.44411 1.00000
Sr6 Sr 0.36327 0.33541 0.38796 1.00000
Hg1 Hg 0.36261 0.69424 0.24630 1.00000
Hg2 Hg 0.36382 0.19401 0.74655 1.00000
Bi1 Bi 0.36321 0.69411 0.74640 1.00000
Bi2 Bi 0.86329 0.19411 0.24663 1.00000
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