Ho7(AgTe)2
Alexandria ALEXAlex-ID: agm003320697 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_243_spg65
Ho3Te2 HoAg Ho
2022-01-23 23:03:12.314639
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003320697).
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 agm003320697
data_agm003320697
_cell_length_a 6.68527
_cell_length_b 7.59101
_cell_length_c 6.68527
_cell_angle_alpha 89.96975
_cell_angle_beta 106.25742
_cell_angle_gamma 90.03025
_cell_volume 325.69841
_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 0.00013 0.28575 0.50029 1.00000
Ho2 Ho 0.50029 0.71425 0.00013 1.00000
Ho3 Ho 0.99987 0.71425 0.49971 1.00000
Ho4 Ho 0.49971 0.28575 0.99987 1.00000
Ho5 Ho 0.00000 0.00000 0.00000 1.00000
Ho6 Ho 0.49997 0.72314 0.50003 1.00000
Ho7 Ho 0.50003 0.27686 0.49997 1.00000
Ag1 Ag 0.82148 0.50000 0.82148 1.00000
Ag2 Ag 0.17852 0.50000 0.17852 1.00000
Te1 Te 0.71469 0.00015 0.28531 1.00000
Te2 Te 0.28531 0.99985 0.71469 1.00000
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