Pu6TeP5
Alexandria ALEXAlex-ID: agm003676969 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_30_spg12
Pu2TeP PuP
2022-04-10 02:22:57.879336
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676969).
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 agm003676969
data_agm003676969
_cell_length_a 7.04818
_cell_length_b 7.05212
_cell_length_c 7.03938
_cell_angle_alpha 59.94008
_cell_angle_beta 80.39820
_cell_angle_gamma 70.54924
_cell_volume 285.54701
_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
Pu1 Pu 0.73866 0.08753 0.35016 1.00000
Pu2 Pu 0.26134 0.56231 0.35016 1.00000
Pu3 Pu 0.25796 0.26470 0.00000 1.00000
Pu4 Pu 0.74204 0.73530 1.00000 1.00000
Pu5 Pu 0.73866 0.43769 0.64984 1.00000
Pu6 Pu 0.26134 0.91247 0.64984 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
P1 P 0.50000 0.16004 0.67993 1.00000
P2 P 0.00000 0.33158 0.33683 1.00000
P3 P 0.50000 0.50000 0.00000 1.00000
P4 P 0.00000 0.66842 0.66317 1.00000
P5 P 0.50000 0.83996 0.32007 1.00000
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