Ac4Te3S2
Alexandria ALEXAlex-ID: agm005643718 · 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
A2B3C4_992_spg12
Ac2TeS2 AcTe
2023-06-29 01:42:11.627759
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643718).
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 agm005643718
data_agm005643718
_cell_length_a 4.65669
_cell_length_b 8.10131
_cell_length_c 9.92956
_cell_angle_alpha 90.60031
_cell_angle_beta 76.43867
_cell_angle_gamma 73.29744
_cell_volume 347.56584
_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 0.30209 0.28780 0.10803 1.00000
Ac2 Ac 0.69791 0.71220 0.89197 1.00000
Ac3 Ac 0.09880 0.12481 0.67760 1.00000
Ac4 Ac 0.90120 0.87519 0.32240 1.00000
Te1 Te 0.39910 0.42634 0.77546 1.00000
Te2 Te 0.00000 0.00000 0.00000 1.00000
Te3 Te 0.60090 0.57366 0.22454 1.00000
S1 S 0.25808 0.11156 0.37228 1.00000
S2 S 0.74192 0.88844 0.62772 1.00000
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