AcPu(ThSb2)2
Alexandria ALEXAlex-ID: agm004843701 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
PuTh2Sb3 Ac5ThSb6 Th3Sb4 Pu4Sb3
2023-01-28 17:49:31.632283
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004843701).
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 agm004843701
data_agm004843701
_cell_length_a 4.56955
_cell_length_b 7.89690
_cell_length_c 7.94270
_cell_angle_alpha 109.46612
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 270.23120
_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
Ac1 Ac 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.50000 0.24388 0.25433 1.00000
Sb2 Sb 0.50000 0.75612 0.74567 1.00000
Sb3 Sb 0.00000 0.23912 0.73925 1.00000
Sb4 Sb 0.00000 0.76088 0.26075 1.00000
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