Rb4Hg5Sb2
Alexandria ALEXAlex-ID: agm005659095 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_25_spg10
Rb4HgSb2 RbHg2 RbHgSb
2023-06-22 11:33:14.983220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659095).
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 agm005659095
data_agm005659095
_cell_length_a 5.56467
_cell_length_b 8.44934
_cell_length_c 9.52154
_cell_angle_alpha 93.54281
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 446.82643
_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
Rb1 Rb 0.50000 0.76391 0.59387 1.00000
Rb2 Rb 0.50000 0.22895 0.86770 1.00000
Rb3 Rb 0.50000 0.23609 0.40613 1.00000
Rb4 Rb 0.50000 0.77105 0.13230 1.00000
Hg1 Hg 0.00000 0.55402 0.34495 1.00000
Hg2 Hg 0.00000 0.16067 0.12302 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.00000 0.83933 0.87698 1.00000
Hg5 Hg 0.00000 0.44598 0.65505 1.00000
Sb1 Sb 0.00000 0.06917 0.64017 1.00000
Sb2 Sb 0.00000 0.93083 0.35983 1.00000
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