Rb2Hg5H4
Alexandria ALEXAlex-ID: agm005661832 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_847_spg2
Rb2Hg7 RbH7
2023-06-21 15:35:58.459336
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661832).
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 agm005661832
data_agm005661832
_cell_length_a 6.34332
_cell_length_b 5.83816
_cell_length_c 9.39049
_cell_angle_alpha 69.73694
_cell_angle_beta 102.12706
_cell_angle_gamma 65.49005
_cell_volume 270.14842
_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 0.28015 0.45025 0.35076 1.00000
Rb2 Rb 0.71985 0.54975 0.64924 1.00000
Hg1 Hg 0.64110 0.15340 0.11149 1.00000
Hg2 Hg 0.35890 0.84660 0.88851 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.13410 0.17080 0.08353 1.00000
Hg5 Hg 0.86590 0.82920 0.91647 1.00000
H1 H 0.72489 0.03499 0.66831 1.00000
H2 H 0.27511 0.96501 0.33169 1.00000
H3 H 0.88392 0.35492 0.42514 1.00000
H4 H 0.11608 0.64508 0.57486 1.00000
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