La4N2O3
Alexandria ALEXAlex-ID: agm005688034 · 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
A2B3C4_992_spg12
La2O3 LaN
2023-06-27 18:24:53.820315
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688034).
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
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# CIF generated by HEAS from Alexandria entry agm005688034
data_agm005688034
_cell_length_a 3.70782
_cell_length_b 6.40493
_cell_length_c 7.97323
_cell_angle_alpha 81.13756
_cell_angle_beta 76.55470
_cell_angle_gamma 73.17491
_cell_volume 175.51069
_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 0.75006 0.16367 0.33620 1.00000
La2 La 0.24994 0.83633 0.66380 1.00000
La3 La 0.41867 0.27825 0.88442 1.00000
La4 La 0.58133 0.72175 0.11558 1.00000
N1 N 0.64082 0.07621 0.64214 1.00000
N2 N 0.35918 0.92379 0.35786 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.18716 0.45558 0.17011 1.00000
O3 O 0.81284 0.54442 0.82989 1.00000
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