Zr4Te16Au3
Alexandria ALEXAlex-ID: agm008190819 · 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
A3B4C16_4_spg12
ZrTe3 ZrTe4Au3 ZrTe5
2024-03-09 03:17:32.830698
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008190819).
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 agm008190819
data_agm008190819
_cell_length_a 10.85165
_cell_length_b 10.85165
_cell_length_c 19.61425
_cell_angle_alpha 68.26653
_cell_angle_beta 68.26653
_cell_angle_gamma 20.98867
_cell_volume 766.40488
_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 0.09046 0.09046 0.14456 1.00000
Zr2 Zr 0.90954 0.90954 0.85544 1.00000
Zr3 Zr 0.21060 0.21060 0.43117 1.00000
Zr4 Zr 0.78940 0.78940 0.56883 1.00000
Te1 Te 0.64435 0.64435 0.02346 1.00000
Te2 Te 0.35565 0.35565 0.97654 1.00000
Te3 Te 0.96829 0.96829 0.10363 1.00000
Te4 Te 0.03171 0.03171 0.89637 1.00000
Te5 Te 0.48933 0.48933 0.23936 1.00000
Te6 Te 0.51067 0.51067 0.76064 1.00000
Te7 Te 0.07508 0.07508 0.30218 1.00000
Te8 Te 0.92492 0.92492 0.69782 1.00000
Te9 Te 0.69621 0.69621 0.13581 1.00000
Te10 Te 0.30379 0.30379 0.86419 1.00000
Te11 Te 0.25906 0.25906 0.27288 1.00000
Te12 Te 0.74094 0.74094 0.72712 1.00000
Te13 Te 0.60404 0.60404 0.47736 1.00000
Te14 Te 0.39596 0.39596 0.52264 1.00000
Te15 Te 0.18097 0.18097 0.59229 1.00000
Te16 Te 0.81903 0.81903 0.40771 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.66131 0.66131 0.32123 1.00000
Au3 Au 0.33869 0.33869 0.67877 1.00000
