Pm6Er5Th
Alexandria ALEXAlex-ID: agm006119682 · 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
Er2Th Pm PmEr2
2023-09-03 15:27:48.424450
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006119682).
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 agm006119682
data_agm006119682
_cell_length_a 5.08947
_cell_length_b 10.11998
_cell_length_c 9.48002
_cell_angle_alpha 122.25920
_cell_angle_beta 105.57067
_cell_angle_gamma 90.00049
_cell_volume 391.54846
_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
Er1 Er 0.66438 0.16438 0.32877 1.00000
Er2 Er 0.33207 0.33207 0.66413 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Er4 Er 0.66793 0.66793 0.33587 1.00000
Er5 Er 0.33562 0.83562 0.67123 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.83531 0.58500 0.67062 1.00000
Pm2 Pm 0.83531 0.08562 0.67062 1.00000
Pm3 Pm 0.50000 0.75157 0.00000 1.00000
Pm4 Pm 0.50000 0.24843 1.00000 1.00000
Pm5 Pm 0.16469 0.91438 0.32938 1.00000
Pm6 Pm 0.16469 0.41500 0.32938 1.00000
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