LuTeAs
Alexandria ALEXAlex-ID: agm002199070 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_42_spg71
LuTeAs
2018-06-26 21:56:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199070).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002199070
data_agm002199070
_cell_length_a 3.89568
_cell_length_b 5.95238
_cell_length_c 7.76229
_cell_angle_alpha 112.49567
_cell_angle_beta 104.50336
_cell_angle_gamma 90.06242
_cell_volume 160.05319
_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
As1 As 0.99975 0.79228 0.99983 1.00000
As2 As 0.00025 0.20772 0.00017 1.00000
Lu1 Lu 0.36423 0.86430 0.72834 1.00000
Lu2 Lu 0.63577 0.13570 0.27166 1.00000
Te1 Te 0.69250 0.69243 0.38507 1.00000
Te2 Te 0.30750 0.30757 0.61493 1.00000
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