La7Pr2Nd
Alexandria ALEXAlex-ID: agm047997993 · 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
AB2C7_581_spg2
La5Pr La2Nd La2Pr
2025-02-05 12:15:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047997993).
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 agm047997993
data_agm047997993
_cell_length_a 6.44870
_cell_length_b 7.44394
_cell_length_c 8.31551
_cell_angle_alpha 102.83174
_cell_angle_beta 97.42608
_cell_angle_gamma 106.79790
_cell_volume 364.51135
_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
La1 La 0.79951 0.09954 0.60100 1.00000
La2 La 0.20049 0.90046 0.39900 1.00000
La3 La 0.39986 0.80115 0.80097 1.00000
La4 La 0.60014 0.19885 0.19903 1.00000
La5 La 0.59933 0.70032 0.19981 1.00000
La6 La 0.40067 0.29968 0.80019 1.00000
La7 La 0.00000 0.50000 0.00000 1.00000
Pr1 Pr 0.19933 0.39995 0.40011 1.00000
Pr2 Pr 0.80067 0.60005 0.59989 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
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