CsReTe3
Alexandria ALEXAlex-ID: agm005865366 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_579_spg11
Cs2Te3 ReTe2 Re
2023-07-06 02:48:25.404471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005865366).
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 agm005865366
data_agm005865366
_cell_length_a 4.18505
_cell_length_b 9.24947
_cell_length_c 10.60306
_cell_angle_alpha 125.45143
_cell_angle_beta 89.99992
_cell_angle_gamma 90.00021
_cell_volume 334.34712
_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 0.69549 0.03189 0.51269 1.00000
Cs2 Cs 0.19549 0.38967 0.04139 1.00000
Re1 Re 0.69550 0.61978 0.63919 1.00000
Re2 Re 0.19550 0.80178 0.91489 1.00000
Te1 Te 0.19550 0.06717 0.22358 1.00000
Te2 Te 0.19550 0.46614 0.69196 1.00000
Te3 Te 0.19550 0.68698 0.50732 1.00000
Te4 Te 0.69550 0.95542 0.86212 1.00000
Te5 Te 0.69550 0.73458 0.04675 1.00000
Te6 Te 0.69549 0.35439 0.33050 1.00000
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