Pr8Sm2Al
Alexandria ALEXAlex-ID: agm003517366 · 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
AB2C8_280_spg71
PrSm4 SmAl Pr
2022-03-13 16:56:10.620044
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003517366).
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 agm003517366
data_agm003517366
_cell_length_a 5.53644
_cell_length_b 8.16739
_cell_length_c 9.41446
_cell_angle_alpha 110.92993
_cell_angle_beta 107.09994
_cell_angle_gamma 90.00000
_cell_volume 377.39969
_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
Pr1 Pr 0.40165 0.57773 0.80330 1.00000
Pr2 Pr 0.66231 0.91886 0.32462 1.00000
Pr3 Pr 0.82392 0.77710 0.64783 1.00000
Pr4 Pr 0.98232 0.22695 0.96463 1.00000
Pr5 Pr 0.17608 0.22290 0.35217 1.00000
Pr6 Pr 0.33769 0.08114 0.67538 1.00000
Pr7 Pr 0.59835 0.42227 0.19670 1.00000
Pr8 Pr 0.01768 0.77305 0.03537 1.00000
Sm1 Sm 0.80914 0.34538 0.61827 1.00000
Sm2 Sm 0.19086 0.65462 0.38173 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
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