HfAg4Te5
Alexandria ALEXAlex-ID: agm003660135 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
HfTe5 Hf(AgTe)4 Ag2Te
2022-04-06 03:05:08.254224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003660135).
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 agm003660135
data_agm003660135
_cell_length_a 5.84962
_cell_length_b 7.31016
_cell_length_c 7.31016
_cell_angle_alpha 80.78836
_cell_angle_beta 66.41543
_cell_angle_gamma 66.41543
_cell_volume 262.55350
_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
Hf1 Hf 0.09953 0.00000 0.00000 1.00000
Ag1 Ag 0.36550 0.39364 0.82579 1.00000
Ag2 Ag 0.75914 0.82579 0.60636 1.00000
Ag3 Ag 0.19129 0.17421 0.39364 1.00000
Ag4 Ag 0.58492 0.60636 0.17421 1.00000
Te1 Te 0.91382 0.36030 0.78088 1.00000
Te2 Te 0.27412 0.78088 0.63970 1.00000
Te3 Te 0.69470 0.21912 0.36030 1.00000
Te4 Te 0.05500 0.63970 0.21912 1.00000
Te5 Te 0.57229 0.00000 0.00000 1.00000
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