Ce6ScTe8
Alexandria ALEXAlex-ID: agm005997737 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_64_spg148
Ce3Te4 Sc3Te4 CeTe
2023-08-31 12:43:54.289998
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997737).
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 agm005997737
data_agm005997737
_cell_length_a 8.32700
_cell_length_b 8.32700
_cell_length_c 8.32700
_cell_angle_alpha 68.56784
_cell_angle_beta 68.56784
_cell_angle_gamma 68.56784
_cell_volume 482.04759
_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 0.07342 0.46223 0.69330 1.00000
Ce2 Ce 0.30670 0.92658 0.53777 1.00000
Ce3 Ce 0.53777 0.30670 0.92658 1.00000
Ce4 Ce 0.46223 0.69330 0.07342 1.00000
Ce5 Ce 0.69330 0.07342 0.46223 1.00000
Ce6 Ce 0.92658 0.53777 0.30670 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.17617 0.64958 0.90476 1.00000
Te2 Te 0.09524 0.82383 0.35042 1.00000
Te3 Te 0.35042 0.09524 0.82383 1.00000
Te4 Te 0.66729 0.66729 0.66729 1.00000
Te5 Te 0.33271 0.33271 0.33271 1.00000
Te6 Te 0.64958 0.90476 0.17617 1.00000
Te7 Te 0.90476 0.17617 0.64958 1.00000
Te8 Te 0.82383 0.35042 0.09524 1.00000
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