Mn2O3
Alexandria ALEXAlex-ID: agm005530397 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_773_spg15
Mn2O3
2023-05-27 06:25:43.480577
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005530397).
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 agm005530397
data_agm005530397
_cell_length_a 5.27496
_cell_length_b 5.13439
_cell_length_c 5.13620
_cell_angle_alpha 114.68669
_cell_angle_beta 102.43435
_cell_angle_gamma 102.41181
_cell_volume 115.91430
_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
Mn1 Mn 0.75031 0.90480 0.09603 1.00000
Mn2 Mn 0.24969 0.09520 0.90397 1.00000
Mn3 Mn 0.25051 0.73132 0.26783 1.00000
Mn4 Mn 0.74949 0.26868 0.73217 1.00000
O1 O 0.51039 0.10152 0.29667 1.00000
O2 O 0.48961 0.89848 0.70332 1.00000
O3 O 0.98881 0.70276 0.89786 1.00000
O4 O 0.50000 0.50000 0.00000 1.00000
O5 O 0.01119 0.29724 0.10214 1.00000
O6 O 0.00000 0.00000 0.50000 1.00000
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