Ho3(TeC)2
Alexandria ALEXAlex-ID: agm003308317 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_107_spg14
Ho5Te6 Ho2TeC2 Ho2TeC
2022-01-23 05:56:48.931350
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308317).
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 agm003308317
data_agm003308317
_cell_length_a 7.58357
_cell_length_b 7.47198
_cell_length_c 6.34957
_cell_angle_alpha 90.00000
_cell_angle_beta 65.96803
_cell_angle_gamma 90.00000
_cell_volume 328.60589
_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
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.00000 0.00000 0.00000 1.00000
Ho3 Ho 0.76929 0.12932 0.59838 1.00000
Ho4 Ho 0.73071 0.62932 0.40162 1.00000
Ho5 Ho 0.26929 0.37068 0.59838 1.00000
Ho6 Ho 0.23071 0.87068 0.40162 1.00000
Te1 Te 0.91583 0.64035 0.81556 1.00000
Te2 Te 0.41583 0.85965 0.81556 1.00000
Te3 Te 0.58417 0.14035 0.18444 1.00000
Te4 Te 0.08417 0.35965 0.18444 1.00000
C1 C 0.56489 0.38779 0.65052 1.00000
C2 C 0.93511 0.88779 0.34948 1.00000
C3 C 0.06489 0.11221 0.65052 1.00000
C4 C 0.43511 0.61221 0.34948 1.00000
获取直接链接