Pr3Nd5Er4
Alexandria ALEXAlex-ID: agm028323975 · 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_168_spg2
PrNd2 Pr(NdEr3)2 Pr
2025-02-22 02:08:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm028323975).
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 agm028323975
data_agm028323975
_cell_length_a 6.34621
_cell_length_b 7.32712
_cell_length_c 9.02074
_cell_angle_alpha 101.72277
_cell_angle_beta 96.77665
_cell_angle_gamma 89.92989
_cell_volume 407.72874
_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 0.38811 0.83440 0.83582 1.00000
Pr2 Pr 0.50000 0.50000 0.50000 1.00000
Pr3 Pr 0.61189 0.16560 0.16418 1.00000
Nd1 Nd 0.89034 0.58422 0.83723 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.00132 0.24788 0.50219 1.00000
Nd4 Nd 0.99868 0.75212 0.49781 1.00000
Nd5 Nd 0.10966 0.41578 0.16277 1.00000
Er1 Er 0.60947 0.66700 0.16559 1.00000
Er2 Er 0.88936 0.08442 0.83375 1.00000
Er3 Er 0.11064 0.91558 0.16625 1.00000
Er4 Er 0.39053 0.33300 0.83441 1.00000
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