Sm4N2O3
Alexandria ALEXAlex-ID: agm005688044 · 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
Sm2O3 SmN
2023-06-27 18:22:56.133254
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688044).
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 agm005688044
data_agm005688044
_cell_length_a 3.54539
_cell_length_b 6.11950
_cell_length_c 7.83337
_cell_angle_alpha 80.15528
_cell_angle_beta 76.92063
_cell_angle_gamma 73.16121
_cell_volume 157.42974
_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
Sm1 Sm 0.75353 0.15731 0.33564 1.00000
Sm2 Sm 0.24647 0.84269 0.66436 1.00000
Sm3 Sm 0.41857 0.28020 0.88266 1.00000
Sm4 Sm 0.58143 0.71980 0.11734 1.00000
N1 N 0.63366 0.09380 0.63888 1.00000
N2 N 0.36634 0.90620 0.36112 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.18882 0.44834 0.17403 1.00000
O3 O 0.81118 0.55166 0.82597 1.00000
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