Sr2AcHg6
Alexandria ALEXAlex-ID: agm017488152 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_172_spg148
SrAcHg4 SrHg2
2024-11-09 01:08:29.424981
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017488152).
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 agm017488152
data_agm017488152
_cell_length_a 6.43664
_cell_length_b 6.43664
_cell_length_c 6.43664
_cell_angle_alpha 86.85935
_cell_angle_beta 86.85935
_cell_angle_gamma 86.85935
_cell_volume 265.51230
_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 0.66428 0.66428 0.66428 1.00000
Sr2 Sr 0.33572 0.33572 0.33572 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.16675 0.50000 0.83325 1.00000
Hg2 Hg 0.83325 0.16675 0.50000 1.00000
Hg3 Hg 0.83325 0.50000 0.16675 1.00000
Hg4 Hg 0.50000 0.16675 0.83325 1.00000
Hg5 Hg 0.16675 0.83325 0.50000 1.00000
Hg6 Hg 0.50000 0.83325 0.16675 1.00000
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