Y3Te2As
Alexandria ALEXAlex-ID: agm041069259 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4637_spg74
YTe Y2TeAs
2025-03-10 15:09:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041069259).
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 agm041069259
data_agm041069259
_cell_length_a 9.63805
_cell_length_b 9.63805
_cell_length_c 8.63796
_cell_angle_alpha 76.39748
_cell_angle_beta 103.60252
_cell_angle_gamma 154.48939
_cell_volume 335.37753
_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
Y1 Y 0.67191 0.32809 0.61672 1.00000
Y2 Y 0.32475 0.67525 0.93305 1.00000
Y3 Y 0.32809 0.67191 0.38328 1.00000
Y4 Y 0.98538 0.01462 0.24107 1.00000
Y5 Y 0.01462 0.98538 0.75893 1.00000
Y6 Y 0.67525 0.32475 0.06695 1.00000
Te1 Te 0.50000 0.50000 0.50000 1.00000
Te2 Te 0.50000 0.50000 0.00000 1.00000
Te3 Te 0.16065 0.83935 0.33465 1.00000
Te4 Te 0.83935 0.16065 0.66535 1.00000
As1 As 0.16864 0.83136 0.83658 1.00000
As2 As 0.83136 0.16864 0.16342 1.00000
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