Pr7Nd2Er3
Alexandria ALEXAlex-ID: agm024673634 · 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
A2B3C7_103_spg10
PrNd2 Pr(NdEr3)2 Pr
2025-01-21 19:52:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024673634).
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 agm024673634
data_agm024673634
_cell_length_a 17.75683
_cell_length_b 17.75683
_cell_length_c 6.31605
_cell_angle_alpha 86.45654
_cell_angle_beta 93.54346
_cell_angle_gamma 167.94681
_cell_volume 415.05687
_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
Pr1 Pr 0.25152 0.74848 0.74867 1.00000
Pr2 Pr 0.74848 0.25152 0.25133 1.00000
Pr3 Pr 0.58511 0.41489 0.19354 1.00000
Pr4 Pr 0.00000 0.00000 0.00000 1.00000
Pr5 Pr 0.41489 0.58511 0.80646 1.00000
Pr6 Pr 0.91699 0.08301 0.30846 1.00000
Pr7 Pr 0.08301 0.91699 0.69154 1.00000
Nd1 Nd 0.66701 0.33299 0.88508 1.00000
Nd2 Nd 0.33299 0.66701 0.11492 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.16681 0.83319 0.39035 1.00000
Er3 Er 0.83319 0.16681 0.60965 1.00000
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