Pm3Nd5Y4
Alexandria ALEXAlex-ID: agm005694067 · 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
A3B4C5_119_spg2
PmNd3Y4 Pm2Nd Nd
2023-06-30 23:30:52.376995
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694067).
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 agm005694067
data_agm005694067
_cell_length_a 7.26848
_cell_length_b 11.50322
_cell_length_c 13.11717
_cell_angle_alpha 151.28306
_cell_angle_beta 56.28383
_cell_angle_gamma 129.25405
_cell_volume 408.05337
_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 0.58535 0.16763 0.33321 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.41465 0.83237 0.66679 1.00000
Nd1 Nd 0.33564 0.66733 0.83256 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.74848 0.49969 0.00002 1.00000
Nd4 Nd 0.25152 0.50031 0.99998 1.00000
Nd5 Nd 0.66436 0.33267 0.16744 1.00000
Y1 Y 0.91680 0.83201 0.66689 1.00000
Y2 Y 0.83556 0.66854 0.83335 1.00000
Y3 Y 0.16444 0.33146 0.16665 1.00000
Y4 Y 0.08320 0.16799 0.33311 1.00000
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