Ho6InSi2Te3
Alexandria ALEXAlex-ID: agm004598985 · 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_28_spg12
Ho3In5 Ho11(In3Si2)2 Ho3SiTe2 HoSi
2022-06-29 16:31:31.810175
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004598985).
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 agm004598985
data_agm004598985
_cell_length_a 4.20869
_cell_length_b 8.71188
_cell_length_c 9.63587
_cell_angle_alpha 104.81929
_cell_angle_beta 102.61429
_cell_angle_gamma 90.00000
_cell_volume 332.72411
_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 0.33130 0.89288 0.66261 1.00000
Ho2 Ho 0.67499 0.56317 0.34999 1.00000
Ho3 Ho 0.66870 0.10712 0.33739 1.00000
Ho4 Ho 0.00920 0.25639 0.01839 1.00000
Ho5 Ho 0.99080 0.74361 0.98161 1.00000
Ho6 Ho 0.32501 0.43683 0.65001 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
Si1 Si 0.83311 0.66743 0.66622 1.00000
Si2 Si 0.16689 0.33257 0.33378 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83575 0.16966 0.67150 1.00000
Te3 Te 0.16425 0.83034 0.32850 1.00000
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