Li(Ga4Hg3)2
Alexandria ALEXAlex-ID: agm071863399 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_623_spg2
Li2Ga7 Hg Ga
2024-10-06 18:55:02.706582
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071863399).
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}
}
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# CIF generated by HEAS from Alexandria entry agm071863399
data_agm071863399
_cell_length_a 7.96496
_cell_length_b 5.80009
_cell_length_c 9.21725
_cell_angle_alpha 111.57547
_cell_angle_beta 86.31188
_cell_angle_gamma 121.72877
_cell_volume 332.28467
_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 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.90182 0.43046 0.86503 1.00000
Ga2 Ga 0.09818 0.56954 0.13497 1.00000
Ga3 Ga 0.70638 0.11321 0.53421 1.00000
Ga4 Ga 0.13243 0.61250 0.65867 1.00000
Ga5 Ga 0.52793 0.31860 0.76927 1.00000
Ga6 Ga 0.29362 0.88679 0.46579 1.00000
Ga7 Ga 0.86757 0.38750 0.34133 1.00000
Ga8 Ga 0.47207 0.68140 0.23073 1.00000
Hg1 Hg 0.89657 0.87464 0.63811 1.00000
Hg2 Hg 0.49920 0.81600 0.83245 1.00000
Hg3 Hg 0.19928 0.15400 0.93640 1.00000
Hg4 Hg 0.10343 0.12536 0.36189 1.00000
Hg5 Hg 0.50080 0.18400 0.16755 1.00000
Hg6 Hg 0.80072 0.84600 0.06360 1.00000
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