Ce10PuTe16
Alexandria ALEXAlex-ID: agm017126445 · 空间群: P-4 (#81)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB10C16_9_spg81
Ce5PuTe8 CePu5Te8 Ce2Te3
2024-12-06 11:17:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017126445).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm017126445
data_agm017126445
_cell_length_a 9.49958
_cell_length_b 9.49958
_cell_length_c 9.53686
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 860.62456
_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 0.25238 0.62394 0.86652 1.00000
Ce2 Ce 0.00000 0.50000 0.25123 1.00000
Ce3 Ce 0.37606 0.25238 0.13348 1.00000
Ce4 Ce 0.74762 0.37606 0.86652 1.00000
Ce5 Ce 0.12656 0.25445 0.62307 1.00000
Ce6 Ce 0.74555 0.12656 0.37693 1.00000
Ce7 Ce 0.50000 0.00000 0.74877 1.00000
Ce8 Ce 0.87344 0.74555 0.62307 1.00000
Ce9 Ce 0.25445 0.87344 0.37693 1.00000
Ce10 Ce 0.62394 0.74762 0.13348 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.57927 0.67871 0.80871 1.00000
Te2 Te 0.17480 0.57790 0.54333 1.00000
Te3 Te 0.92681 0.67552 0.95140 1.00000
Te4 Te 0.07319 0.32448 0.95140 1.00000
Te5 Te 0.42073 0.32129 0.80871 1.00000
Te6 Te 0.32129 0.57927 0.19129 1.00000
Te7 Te 0.82520 0.42210 0.54333 1.00000
Te8 Te 0.07535 0.17225 0.29851 1.00000
Te9 Te 0.67871 0.42073 0.19129 1.00000
Te10 Te 0.67552 0.07319 0.04860 1.00000
Te11 Te 0.42210 0.17480 0.45667 1.00000
Te12 Te 0.57790 0.82520 0.45667 1.00000
Te13 Te 0.92465 0.82775 0.29851 1.00000
Te14 Te 0.82775 0.07535 0.70149 1.00000
Te15 Te 0.32448 0.92681 0.04860 1.00000
Te16 Te 0.17225 0.92465 0.70149 1.00000
