LiEr2NiAu
Alexandria ALEXAlex-ID: agm043973787 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_28_spg11
LiErAu ErNi
2025-02-27 11:29:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043973787).
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 agm043973787
data_agm043973787
_cell_length_a 7.09904
_cell_length_b 4.13087
_cell_length_c 7.67828
_cell_angle_alpha 90.00000
_cell_angle_beta 113.38135
_cell_angle_gamma 90.00000
_cell_volume 206.67744
_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 0.65092 0.75000 0.55948 1.00000
Li2 Li 0.34908 0.25000 0.44052 1.00000
Er1 Er 0.64487 0.25000 0.89495 1.00000
Er2 Er 0.03455 0.25000 0.71267 1.00000
Er3 Er 0.35513 0.75000 0.10505 1.00000
Er4 Er 0.96545 0.75000 0.28733 1.00000
Ni1 Ni 0.92443 0.75000 0.91414 1.00000
Ni2 Ni 0.07557 0.25000 0.08586 1.00000
Au1 Au 0.32626 0.75000 0.68000 1.00000
Au2 Au 0.67374 0.25000 0.32000 1.00000
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