Pm8Dy3Y2
Alexandria ALEXAlex-ID: agm005605136 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_583_spg2
Pm5Y Pm3Dy5 PmY2
2023-06-16 15:38:03.137987
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605136).
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 agm005605136
data_agm005605136
_cell_length_a 12.02902
_cell_length_b 6.16656
_cell_length_c 6.79279
_cell_angle_alpha 116.29589
_cell_angle_beta 87.47338
_cell_angle_gamma 103.65854
_cell_volume 437.89601
_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 0.11296 0.22748 0.68845 1.00000
Pm2 Pm 0.88704 0.77252 0.31155 1.00000
Pm3 Pm 0.26173 0.74600 0.62565 1.00000
Pm4 Pm 0.73827 0.25400 0.37435 1.00000
Pm5 Pm 0.19733 0.84842 0.16890 1.00000
Pm6 Pm 0.32377 0.37729 0.09077 1.00000
Pm7 Pm 0.67623 0.62271 0.90923 1.00000
Pm8 Pm 0.80267 0.15158 0.83110 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.03371 0.30719 0.22694 1.00000
Dy3 Dy 0.96629 0.69281 0.77306 1.00000
Y1 Y 0.57148 0.73022 0.42682 1.00000
Y2 Y 0.42852 0.26978 0.57318 1.00000
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