Pr2Nd5Y2
Alexandria ALEXAlex-ID: agm009336288 · 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_491_spg2
PrNd3Y4 Pr3Nd3Y2 Nd
2024-05-05 23:49:18.432061
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009336288).
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 agm009336288
data_agm009336288
_cell_length_a 6.34240
_cell_length_b 6.34240
_cell_length_c 11.00526
_cell_angle_alpha 73.28037
_cell_angle_beta 73.28037
_cell_angle_gamma 48.27513
_cell_volume 313.55903
_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 0.33228 0.33228 0.55725 1.00000
Pr2 Pr 0.66772 0.66772 0.44275 1.00000
Nd1 Nd 0.33525 0.33525 0.21923 1.00000
Nd2 Nd 0.66475 0.66475 0.78077 1.00000
Nd3 Nd 0.00121 0.00121 0.33175 1.00000
Nd4 Nd 0.99879 0.99879 0.66825 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.33210 0.33210 0.89052 1.00000
Y2 Y 0.66790 0.66790 0.10948 1.00000
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