La2MgN
Alexandria ALEXAlex-ID: agm005702053 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_802_spg12
La4N3 La3MgN LaMg3
2023-07-13 04:51:51.448166
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702053).
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 agm005702053
data_agm005702053
_cell_length_a 5.42454
_cell_length_b 7.10893
_cell_length_c 7.10893
_cell_angle_alpha 65.79689
_cell_angle_beta 67.57155
_cell_angle_gamma 67.57154
_cell_volume 222.73692
_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 0.49869 0.75214 0.25049 1.00000
La2 La 0.50131 0.24951 0.74786 1.00000
La3 La 0.85343 0.64554 0.64759 1.00000
La4 La 0.14657 0.85241 0.85446 1.00000
Mg1 Mg 0.81621 0.18484 0.18274 1.00000
Mg2 Mg 0.18379 0.31726 0.31516 1.00000
N1 N 0.36153 0.63782 0.63913 1.00000
N2 N 0.63847 0.86087 0.86218 1.00000
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