Mn3Co(SeO3)4
Alexandria ALEXAlex-ID: agm044456780 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D12_437_spg1
CoSeO3 MnSeO3
2025-02-05 21:16:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044456780).
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 agm044456780
data_agm044456780
_cell_length_a 6.53842
_cell_length_b 6.79308
_cell_length_c 7.09553
_cell_angle_alpha 104.96753
_cell_angle_beta 90.72495
_cell_angle_gamma 98.97724
_cell_volume 300.26986
_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 0.60238 0.50403 0.06828 1.00000
Mn2 Mn 0.10236 0.64437 0.49068 1.00000
Mn3 Mn 0.47560 0.08782 0.64211 1.00000
Co1 Co 0.83007 0.97831 0.88962 1.00000
Se1 Se 0.45964 0.98647 0.12288 1.00000
Se2 Se 0.58089 0.56228 0.58957 1.00000
Se3 Se 0.97628 0.11405 0.47513 1.00000
Se4 Se 0.08990 0.43152 0.03866 1.00000
O1 O 0.42380 0.75127 0.64445 1.00000
O2 O 0.30764 0.54095 0.19596 1.00000
O3 O 0.52090 0.42568 0.76295 1.00000
O4 O 0.53671 0.12944 0.35191 1.00000
O5 O 0.82651 0.70232 0.67741 1.00000
O6 O 0.06308 0.17622 0.04549 1.00000
O7 O 0.65535 0.83017 0.06605 1.00000
O8 O 0.56153 0.15389 0.98027 1.00000
O9 O 0.11100 0.35795 0.54470 1.00000
O10 O 0.15718 0.97463 0.54337 1.00000
O11 O 0.90812 0.53271 0.20247 1.00000
O12 O 0.81106 0.11594 0.66805 1.00000
获取直接链接