Rb(Sr3Hg4)2
Alexandria ALEXAlex-ID: agm072136264 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_38_spg148
SrHg2 SrHg RbHg
2024-10-07 04:46:57.384587
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072136264).
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 agm072136264
data_agm072136264
_cell_length_a 8.51964
_cell_length_b 8.51964
_cell_length_c 8.51964
_cell_angle_alpha 70.86838
_cell_angle_beta 70.86838
_cell_angle_gamma 70.86838
_cell_volume 534.88784
_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 0.00000 0.00000 0.00000 1.00000
Sr1 Sr 0.84178 0.59154 0.34396 1.00000
Sr2 Sr 0.59154 0.34396 0.84178 1.00000
Sr3 Sr 0.34396 0.84178 0.59154 1.00000
Sr4 Sr 0.15822 0.40846 0.65604 1.00000
Sr5 Sr 0.40846 0.65604 0.15822 1.00000
Sr6 Sr 0.65604 0.15822 0.40846 1.00000
Hg1 Hg 0.72224 0.72224 0.72224 1.00000
Hg2 Hg 0.27776 0.27776 0.27776 1.00000
Hg3 Hg 0.17055 0.55988 0.96276 1.00000
Hg4 Hg 0.55988 0.96276 0.17055 1.00000
Hg5 Hg 0.96276 0.17055 0.55988 1.00000
Hg6 Hg 0.82945 0.44012 0.03724 1.00000
Hg7 Hg 0.44012 0.03724 0.82945 1.00000
Hg8 Hg 0.03724 0.82945 0.44012 1.00000
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