Ho6Te2AsSe3
Alexandria ALEXAlex-ID: agm004635772 · 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
AB2C3D6_175_spg12
Ho3AsSe2 Ho2TeAs Ho2TeSe
2022-06-26 10:27:46.829537
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635772).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004635772
data_agm004635772
_cell_length_a 7.25131
_cell_length_b 7.25131
_cell_length_c 7.15736
_cell_angle_alpha 99.65373
_cell_angle_beta 99.65373
_cell_angle_gamma 120.11555
_cell_volume 306.62097
_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 0.91370 0.60843 0.73668 1.00000
Ho2 Ho 0.78787 0.78787 0.27517 1.00000
Ho3 Ho 0.08630 0.39157 0.26332 1.00000
Ho4 Ho 0.60843 0.91370 0.73668 1.00000
Ho5 Ho 0.21213 0.21213 0.72483 1.00000
Ho6 Ho 0.39157 0.08630 0.26332 1.00000
Te1 Te 0.33656 0.66344 0.00000 1.00000
Te2 Te 0.66344 0.33656 0.00000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.17934 0.82066 0.50000 1.00000
Se2 Se 0.82066 0.17934 0.50000 1.00000
Se3 Se 0.50000 0.50000 0.50000 1.00000
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