CsAgTe2
Alexandria ALEXAlex-ID: agm005648742 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8998_spg15
CsAgTe Cs2Te5 CsAg3Te2
2023-07-14 15:00:50.369787
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648742).
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 agm005648742
data_agm005648742
_cell_length_a 5.73595
_cell_length_b 5.73834
_cell_length_c 11.79852
_cell_angle_alpha 81.97279
_cell_angle_beta 74.27590
_cell_angle_gamma 98.98600
_cell_volume 362.39919
_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
Cs1 Cs 0.16071 0.18220 0.91144 1.00000
Cs2 Cs 0.90617 0.42770 0.41172 1.00000
Ag1 Ag 0.53360 0.80504 0.66174 1.00000
Ag2 Ag 0.53332 0.30482 0.16172 1.00000
Te1 Te 0.25668 0.94414 0.52892 1.00000
Te2 Te 0.52665 0.71440 0.02898 1.00000
Te3 Te 0.53998 0.89547 0.29458 1.00000
Te4 Te 0.80989 0.66544 0.79470 1.00000
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