Cu3(Te2H)2
Alexandria ALEXAlex-ID: agm005653372 · 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
A2B3C4_918_spg12
CuTe CuTeH Te
2023-06-27 05:51:34.590087
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653372).
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 agm005653372
data_agm005653372
_cell_length_a 6.95690
_cell_length_b 6.89563
_cell_length_c 6.39375
_cell_angle_alpha 81.78279
_cell_angle_beta 73.54064
_cell_angle_gamma 59.70564
_cell_volume 253.98498
_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
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
Cu3 Cu 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.77191 0.33626 0.26843 1.00000
Te2 Te 0.10817 0.66374 0.26843 1.00000
Te3 Te 0.22809 0.66374 0.73157 1.00000
Te4 Te 0.89183 0.33626 0.73157 1.00000
H1 H 0.55076 1.00000 0.45867 1.00000
H2 H 0.44924 0.00000 0.54133 1.00000
获取直接链接