Pm2Dy5YSc
Alexandria ALEXAlex-ID: agm005152807 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Pm2Dy7 Pm3Dy5 Sc PmY2
2023-01-19 13:53:55.162528
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152807).
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 agm005152807
data_agm005152807
_cell_length_a 8.50443
_cell_length_b 8.50443
_cell_length_c 9.91116
_cell_angle_alpha 115.40620
_cell_angle_beta 115.40620
_cell_angle_gamma 90.00000
_cell_volume 569.80481
_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
Pm1 Pm 0.11986 0.38014 0.00000 1.00000
Pm2 Pm 0.61986 0.11986 1.00000 1.00000
Pm3 Pm 0.38014 0.88014 0.00000 1.00000
Pm4 Pm 0.88014 0.61986 0.00000 1.00000
Dy1 Dy 0.93260 0.43260 0.28486 1.00000
Dy2 Dy 0.64774 0.14774 0.71514 1.00000
Dy3 Dy 0.06740 0.56740 0.71514 1.00000
Dy4 Dy 0.14774 0.06740 0.71514 1.00000
Dy5 Dy 0.56740 0.64774 0.71514 1.00000
Dy6 Dy 0.85226 0.93260 0.28486 1.00000
Dy7 Dy 0.43260 0.35226 0.28486 1.00000
Dy8 Dy 0.35226 0.85226 0.28486 1.00000
Dy9 Dy 0.50000 0.50000 0.00000 1.00000
Dy10 Dy 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.25000 0.25000 0.50000 1.00000
Y2 Y 0.75000 0.75000 0.50000 1.00000
Sc1 Sc 0.25000 0.75000 0.50000 1.00000
Sc2 Sc 0.75000 0.25000 0.50000 1.00000
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