Ce8TePt6
Alexandria ALEXAlex-ID: agm072141897 · 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_63_spg148
CeTe Ce CePt
2024-10-08 10:15:43.233168
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072141897).
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 agm072141897
data_agm072141897
_cell_length_a 7.81109
_cell_length_b 7.81109
_cell_length_c 7.81109
_cell_angle_alpha 68.75715
_cell_angle_beta 68.75715
_cell_angle_gamma 68.75715
_cell_volume 399.10415
_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 0.67823 0.67823 0.67823 1.00000
Ce2 Ce 0.32177 0.32177 0.32177 1.00000
Ce3 Ce 0.19692 0.62372 0.87601 1.00000
Ce4 Ce 0.62372 0.87601 0.19692 1.00000
Ce5 Ce 0.87601 0.19692 0.62372 1.00000
Ce6 Ce 0.80308 0.37628 0.12399 1.00000
Ce7 Ce 0.37628 0.12399 0.80308 1.00000
Ce8 Ce 0.12399 0.80308 0.37628 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.93317 0.54431 0.31488 1.00000
Pt2 Pt 0.54431 0.31488 0.93317 1.00000
Pt3 Pt 0.31488 0.93317 0.54431 1.00000
Pt4 Pt 0.06683 0.45569 0.68512 1.00000
Pt5 Pt 0.45569 0.68512 0.06683 1.00000
Pt6 Pt 0.68512 0.06683 0.45569 1.00000
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