InHg4
Alexandria ALEXAlex-ID: agm010177973 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_2_spg12
Hg In
2024-05-04 07:11:15.644377
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010177973).
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 agm010177973
data_agm010177973
_cell_length_a 4.91584
_cell_length_b 4.91584
_cell_length_c 10.60449
_cell_angle_alpha 58.07667
_cell_angle_beta 58.07667
_cell_angle_gamma 39.99100
_cell_volume 136.14346
_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
In1 In 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.20038 0.20038 0.89936 1.00000
Hg2 Hg 0.79962 0.79962 0.10064 1.00000
Hg3 Hg 0.60063 0.60063 0.69935 1.00000
Hg4 Hg 0.39937 0.39937 0.30065 1.00000
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