La5PuSb6
Alexandria ALEXAlex-ID: agm003678091 · 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_83_spg12
PuSb2 Pu4Sb3 LaSb
2022-04-10 02:32:20.273074
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678091).
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 agm003678091
data_agm003678091
_cell_length_a 7.96254
_cell_length_b 7.96173
_cell_length_c 7.96164
_cell_angle_alpha 59.99963
_cell_angle_beta 80.39988
_cell_angle_gamma 70.51635
_cell_volume 412.07904
_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
La1 La 0.50000 0.16868 0.66264 1.00000
La2 La 0.00000 0.33413 0.33174 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
La4 La 1.00000 0.66587 0.66826 1.00000
La5 La 0.50000 0.83132 0.33736 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.75453 0.08153 0.32669 1.00000
Sb2 Sb 0.24547 0.59178 0.32669 1.00000
Sb3 Sb 0.24717 0.24386 0.00000 1.00000
Sb4 Sb 0.75283 0.75614 1.00000 1.00000
Sb5 Sb 0.75453 0.40822 0.67331 1.00000
Sb6 Sb 0.24547 0.91847 0.67331 1.00000
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