Pu8GaSi3
Alexandria ALEXAlex-ID: agm005969932 · 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
AB3C8_275_spg71
Pu3Si Pu5Si3 PuGa
2023-09-15 00:34:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005969932).
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
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# CIF generated by HEAS from Alexandria entry agm005969932
data_agm005969932
_cell_length_a 8.96985
_cell_length_b 7.29355
_cell_length_c 5.30823
_cell_angle_alpha 71.33136
_cell_angle_beta 85.91523
_cell_angle_gamma 126.08599
_cell_volume 250.10719
_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 0.17547 0.00000 0.46442 1.00000
Pu2 Pu 0.42076 0.51307 0.73635 1.00000
Pu3 Pu 0.90769 0.48693 0.24941 1.00000
Pu4 Pu 0.66449 1.00000 0.97249 1.00000
Pu5 Pu 0.82455 0.00000 0.53561 1.00000
Pu6 Pu 0.57928 0.48694 0.26367 1.00000
Pu7 Pu 0.09234 0.51306 0.75061 1.00000
Pu8 Pu 0.33554 0.00000 0.02753 1.00000
Ga1 Ga 0.00001 1.00000 0.00002 1.00000
Si1 Si 0.75131 0.50259 0.74871 1.00000
Si2 Si 0.24872 0.49741 0.25130 1.00000
Si3 Si 0.50002 0.00000 0.50001 1.00000
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