Ac6Pr5Sm
Alexandria ALEXAlex-ID: agm006118919 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
PrSm4 Ac Pr
2023-09-18 03:35:26.294909
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118919).
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 agm006118919
data_agm006118919
_cell_length_a 5.50891
_cell_length_b 10.63742
_cell_length_c 10.16464
_cell_angle_alpha 121.55055
_cell_angle_beta 105.71651
_cell_angle_gamma 89.99993
_cell_volume 481.27761
_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 0.66650 0.16654 0.33309 1.00000
Pr2 Pr 0.33356 0.33360 0.66722 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Pr4 Pr 0.66644 0.66640 0.33278 1.00000
Pr5 Pr 0.33350 0.83346 0.66691 1.00000
Ac1 Ac 0.83383 0.58467 0.66764 1.00000
Ac2 Ac 0.83384 0.08298 0.66766 1.00000
Ac3 Ac 0.50000 0.75142 0.99999 1.00000
Ac4 Ac 0.50000 0.24858 0.00001 1.00000
Ac5 Ac 0.16616 0.91702 0.33234 1.00000
Ac6 Ac 0.16617 0.41533 0.33236 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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