La3Nd3Fe2
Alexandria ALEXAlex-ID: agm009778055 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_53_spg1
Fe Nd La4Fe
2024-07-09 08:21:06.323964
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009778055).
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 agm009778055
data_agm009778055
_cell_length_a 9.77370
_cell_length_b 9.77370
_cell_length_c 9.77370
_cell_angle_alpha 149.97233
_cell_angle_beta 149.84131
_cell_angle_gamma 43.07829
_cell_volume 234.10966
_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 0.84247 0.84247 0.00000 1.00000
La2 La 0.50000 0.00000 0.50000 1.00000
La3 La 0.15753 0.15753 0.00000 1.00000
Nd1 Nd 0.34448 0.34448 0.00000 1.00000
Nd2 Nd 0.65552 0.65552 0.00000 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Fe1 Fe 0.74913 0.24913 0.50000 1.00000
Fe2 Fe 0.25087 0.75087 0.50000 1.00000
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