ErHg6Pb
Alexandria ALEXAlex-ID: agm005777019 · 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
ABC6_178_spg148
ErHg2Pb Hg
2023-07-24 20:58:28.573259
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777019).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005777019
data_agm005777019
_cell_length_a 8.23492
_cell_length_b 8.23492
_cell_length_c 6.16347
_cell_angle_alpha 48.08380
_cell_angle_beta 48.08380
_cell_angle_gamma 60.00006
_cell_volume 230.34543
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.15340 0.15340 0.16675 1.00000
Hg2 Hg 0.15340 0.52644 0.16675 1.00000
Hg3 Hg 0.47356 0.84660 0.83325 1.00000
Hg4 Hg 0.84660 0.47356 0.83325 1.00000
Hg5 Hg 0.84660 0.84660 0.83325 1.00000
Hg6 Hg 0.52644 0.15340 0.16675 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
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