Pm2Nd2Er5
Alexandria ALEXAlex-ID: agm009772333 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_478_spg12
Pm2NdEr6 Pm2Nd Nd
2024-05-10 05:13:02.398922
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009772333).
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 agm009772333
data_agm009772333
_cell_length_a 6.19293
_cell_length_b 6.19293
_cell_length_c 10.71616
_cell_angle_alpha 73.37623
_cell_angle_beta 73.37623
_cell_angle_gamma 48.25812
_cell_volume 291.20446
_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 0.66637 0.66637 0.77929 1.00000
Pm2 Pm 0.33363 0.33363 0.22071 1.00000
Nd1 Nd 0.00050 0.00050 0.66795 1.00000
Nd2 Nd 0.99950 0.99950 0.33205 1.00000
Er1 Er 0.66839 0.66839 0.10975 1.00000
Er2 Er 0.33161 0.33161 0.89025 1.00000
Er3 Er 0.33306 0.33306 0.55584 1.00000
Er4 Er 0.66694 0.66694 0.44416 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
