Li(GaHg3)2
Alexandria ALEXAlex-ID: agm005654595 · 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
AB2C6_2813_spg12
Li2Ga7 Hg LiHg
2023-07-08 14:50:39.294200
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654595).
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
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# CIF generated by HEAS from Alexandria entry agm005654595
data_agm005654595
_cell_length_a 5.14329
_cell_length_b 7.15355
_cell_length_c 7.40327
_cell_angle_alpha 100.66507
_cell_angle_beta 69.67375
_cell_angle_gamma 68.93110
_cell_volume 222.89720
_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
Li1 Li 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.18373 0.78638 0.84617 1.00000
Ga2 Ga 0.81627 0.21362 0.15383 1.00000
Hg1 Hg 0.69022 0.67620 0.94337 1.00000
Hg2 Hg 0.30978 0.32380 0.05663 1.00000
Hg3 Hg 0.92059 0.85720 0.30162 1.00000
Hg4 Hg 0.46672 0.67547 0.39110 1.00000
Hg5 Hg 0.07941 0.14280 0.69838 1.00000
Hg6 Hg 0.53328 0.32453 0.60890 1.00000
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