Cs4U3Te10
Alexandria ALEXAlex-ID: agm005585698 · 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
A3B4C10_3_spg139
Cs4U3Te10
2023-06-09 03:12:50.863540
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005585698).
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 agm005585698
data_agm005585698
_cell_length_a 5.92145
_cell_length_b 5.92145
_cell_length_c 21.85996
_cell_angle_alpha 97.78250
_cell_angle_beta 97.78420
_cell_angle_gamma 90.00001
_cell_volume 752.29913
_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 0.56861 0.56861 0.13721 1.00000
Cs2 Cs 0.43139 0.43139 0.86279 1.00000
Cs3 Cs 0.29738 0.29738 0.59476 1.00000
Cs4 Cs 0.70262 0.70262 0.40524 1.00000
U1 U 0.13875 0.13874 0.27750 1.00000
U2 U 0.86125 0.86126 0.72250 1.00000
U3 U 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.13629 0.63627 0.27257 1.00000
Te2 Te 0.06868 0.06868 0.13735 1.00000
Te3 Te 0.63629 0.13628 0.27257 1.00000
Te4 Te 0.86371 0.36373 0.72743 1.00000
Te5 Te 0.36371 0.86372 0.72743 1.00000
Te6 Te 0.93132 0.93132 0.86265 1.00000
Te7 Te 0.20520 0.20521 0.41041 1.00000
Te8 Te 0.79480 0.79479 0.58959 1.00000
Te9 Te 0.00000 0.50000 0.00000 1.00000
Te10 Te 0.50000 0.00000 0.00000 1.00000
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