YTeH
Alexandria ALEXAlex-ID: agm007358977 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_30_spg11
YTeH
2024-05-14 02:44:22.606362
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007358977).
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 agm007358977
data_agm007358977
_cell_length_a 9.28002
_cell_length_b 9.28002
_cell_length_c 3.94857
_cell_angle_alpha 89.73490
_cell_angle_beta 89.73490
_cell_angle_gamma 24.52172
_cell_volume 141.13073
_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 0.81633 0.81633 0.24841 1.00000
Y2 Y 0.18367 0.18367 0.75159 1.00000
Te1 Te 0.39267 0.39267 0.74689 1.00000
Te2 Te 0.60733 0.60733 0.25311 1.00000
H1 H 0.24997 0.24997 0.25038 1.00000
H2 H 0.75003 0.75003 0.74962 1.00000
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