Pu7Sc4
Alexandria ALEXAlex-ID: agm010057080 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_284_spg6
Sc Pu
2024-04-06 14:57:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010057080).
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 agm010057080
data_agm010057080
_cell_length_a 4.95839
_cell_length_b 3.47719
_cell_length_c 13.66327
_cell_angle_alpha 84.98737
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 234.67146
_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 0.50000 0.52247 0.26201 1.00000
Pu2 Pu 0.00000 0.35533 0.75700 1.00000
Pu3 Pu 0.50000 0.25579 0.97540 1.00000
Pu4 Pu 0.50000 0.71101 0.09040 1.00000
Pu5 Pu 0.00000 0.46315 0.93898 1.00000
Pu6 Pu 0.00000 0.88978 0.63055 1.00000
Pu7 Pu 0.50000 0.98293 0.38248 1.00000
Sc1 Sc 0.00000 0.08456 0.18533 1.00000
Sc2 Sc 0.50000 0.40836 0.58566 1.00000
Sc3 Sc 0.00000 0.48385 0.40821 1.00000
Sc4 Sc 0.50000 0.84261 0.78398 1.00000
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