Ce7Te10
Alexandria ALEXAlex-ID: agm007907736 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A7B10_119_spg2
Ce2Te3 Ce3Te4
2024-05-06 07:30:24.168875
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007907736).
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 agm007907736
data_agm007907736
_cell_length_a 7.96439
_cell_length_b 8.86045
_cell_length_c 12.07210
_cell_angle_alpha 66.84977
_cell_angle_beta 70.78855
_cell_angle_gamma 62.52897
_cell_volume 683.49882
_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
Ce1 Ce 0.39616 0.49793 0.20089 1.00000
Ce2 Ce 0.60384 0.50207 0.79911 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
Ce4 Ce 0.38742 0.03869 0.69037 1.00000
Ce5 Ce 0.80787 0.96517 0.90544 1.00000
Ce6 Ce 0.19213 0.03483 0.09456 1.00000
Ce7 Ce 0.61258 0.96131 0.30963 1.00000
Te1 Te 0.58062 0.23617 0.43621 1.00000
Te2 Te 0.18461 0.23728 0.26121 1.00000
Te3 Te 0.74886 0.23057 0.05369 1.00000
Te4 Te 0.38588 0.24928 0.85084 1.00000
Te5 Te 0.95044 0.23349 0.66253 1.00000
Te6 Te 0.04956 0.76651 0.33747 1.00000
Te7 Te 0.61412 0.75072 0.14916 1.00000
Te8 Te 0.25114 0.76943 0.94631 1.00000
Te9 Te 0.81539 0.76272 0.73879 1.00000
Te10 Te 0.41938 0.76383 0.56379 1.00000
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