LiTbSi2Au
Alexandria ALEXAlex-ID: agm059908065 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_37_spg107
LiTbSi2Au
2024-11-07 21:34:02.830448
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059908065).
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 agm059908065
data_agm059908065
_cell_length_a 6.05354
_cell_length_b 6.05354
_cell_length_c 6.05354
_cell_angle_alpha 140.82012
_cell_angle_beta 140.82012
_cell_angle_gamma 56.61016
_cell_volume 87.82475
_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 0.25000 0.75000 0.50000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.60810 0.60810 0.00000 1.00000
Si2 Si 0.39190 0.39190 0.00000 1.00000
Au1 Au 0.75000 0.25000 0.50000 1.00000
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