Co2Se5O12
Alexandria ALEXAlex-ID: agm040340049 · 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
A2B5C12_1013_spg1
CoSe2O5 SeO2
2025-03-17 17:42:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040340049).
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 agm040340049
data_agm040340049
_cell_length_a 6.63320
_cell_length_b 7.28889
_cell_length_c 7.46088
_cell_angle_alpha 104.87087
_cell_angle_beta 105.68068
_cell_angle_gamma 99.33826
_cell_volume 325.10115
_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
Co1 Co 0.28473 0.19867 0.19125 1.00000
Co2 Co 0.86230 0.87906 0.85022 1.00000
Se1 Se 0.40741 0.42053 0.66472 1.00000
Se2 Se 0.99572 0.29039 0.79031 1.00000
Se3 Se 0.36370 0.87655 0.78812 1.00000
Se4 Se 0.08637 0.74429 0.21627 1.00000
Se5 Se 0.65499 0.62325 0.35343 1.00000
O1 O 0.21148 0.94665 0.93558 1.00000
O2 O 0.87338 0.69192 0.00687 1.00000
O3 O 0.16760 0.99302 0.30554 1.00000
O4 O 0.33534 0.62273 0.81699 1.00000
O5 O 0.25818 0.24896 0.74764 1.00000
O6 O 0.24548 0.39551 0.44144 1.00000
O7 O 0.68873 0.65450 0.59739 1.00000
O8 O 0.58064 0.37524 0.25295 1.00000
O9 O 0.94705 0.68244 0.38822 1.00000
O10 O 0.07523 0.31864 0.03413 1.00000
O11 O 0.84447 0.05831 0.68038 1.00000
O12 O 0.61721 0.97931 0.93856 1.00000
获取直接链接