Ti6InHg2
Alexandria ALEXAlex-ID: agm005754346 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_636_spg71
Ti2In Hg Ti3Hg
2023-07-09 20:03:51.656019
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754346).
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 agm005754346
data_agm005754346
_cell_length_a 2.91650
_cell_length_b 8.37178
_cell_length_c 8.37180
_cell_angle_alpha 57.89165
_cell_angle_beta 79.96822
_cell_angle_gamma 79.96920
_cell_volume 169.67794
_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
Ti1 Ti 0.17239 0.50534 0.14987 1.00000
Ti2 Ti 0.82761 0.49466 0.85013 1.00000
Ti3 Ti 0.82761 0.85013 0.49466 1.00000
Ti4 Ti 1.00000 0.17190 0.82810 1.00000
Ti5 Ti 0.00000 0.82810 0.17190 1.00000
Ti6 Ti 0.17239 0.14987 0.50534 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.34707 0.15293 0.15293 1.00000
Hg2 Hg 0.65293 0.84707 0.84707 1.00000
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