Ac3Te2Au
Alexandria ALEXAlex-ID: agm005758316 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_103_spg139
Ac6Te5Au AcAu
2023-08-29 22:33:29.584180
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758316).
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 agm005758316
data_agm005758316
_cell_length_a 4.67955
_cell_length_b 4.68111
_cell_length_c 10.57264
_cell_angle_alpha 102.80161
_cell_angle_beta 102.80874
_cell_angle_gamma 90.02061
_cell_volume 219.92371
_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
Ac1 Ac 0.93406 0.93586 0.87395 1.00000
Ac2 Ac 0.27224 0.27423 0.55157 1.00000
Ac3 Ac 0.59643 0.59689 0.19635 1.00000
Te1 Te 0.10686 0.10737 0.21720 1.00000
Te2 Te 0.76181 0.76380 0.53072 1.00000
Au1 Au 0.43396 0.43598 0.87396 1.00000
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