Zr3Te
Alexandria ALEXAlex-ID: agm005498331 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_6_spg139
Zr3Te
2023-03-19 05:17:35.511113
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005498331).
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 agm005498331
data_agm005498331
_cell_length_a 9.88504
_cell_length_b 9.88504
_cell_length_c 9.88504
_cell_angle_alpha 154.53651
_cell_angle_beta 154.53651
_cell_angle_gamma 36.32026
_cell_volume 178.31002
_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
Zr1 Zr 0.00000 0.50000 0.50000 1.00000
Zr2 Zr 0.50000 0.00000 0.50000 1.00000
Zr3 Zr 0.75000 0.25000 0.50000 1.00000
Zr4 Zr 0.25000 0.75000 0.50000 1.00000
Zr5 Zr 0.87675 0.87675 0.00000 1.00000
Zr6 Zr 0.12325 0.12325 0.00000 1.00000
Te1 Te 0.62176 0.62176 0.00000 1.00000
Te2 Te 0.37824 0.37824 0.00000 1.00000
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