LiMgTlHg2
Alexandria ALEXAlex-ID: agm005014729 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1578_spg63
LiMgHg2 Tl
2022-07-04 12:18:28.182307
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014729).
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 agm005014729
data_agm005014729
_cell_length_a 3.61229
_cell_length_b 6.70182
_cell_length_c 10.27438
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.63458
_cell_volume 239.52880
_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 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.15609 0.31217 0.75000 1.00000
Mg2 Mg 0.84391 0.68783 0.25000 1.00000
Tl1 Tl 0.88141 0.76283 0.75000 1.00000
Tl2 Tl 0.11859 0.23717 0.25000 1.00000
Hg1 Hg 0.65518 0.31037 0.52709 1.00000
Hg2 Hg 0.34482 0.68963 0.47291 1.00000
Hg3 Hg 0.34482 0.68963 0.02709 1.00000
Hg4 Hg 0.65518 0.31037 0.97291 1.00000
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