Zn2CoSeO6
Alexandria ALEXAlex-ID: agm004975475 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_262_spg15
ZnCo5O8 ZnSeO3 ZnSeO4 ZnO
2022-07-29 14:14:37.096617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004975475).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004975475
data_agm004975475
_cell_length_a 5.13667
_cell_length_b 6.59995
_cell_length_c 6.59995
_cell_angle_alpha 84.50368
_cell_angle_beta 84.02732
_cell_angle_gamma 84.02732
_cell_volume 220.50906
_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
Zn1 Zn 0.18970 0.79332 0.59067 1.00000
Zn2 Zn 0.31030 0.40933 0.20668 1.00000
Zn3 Zn 0.81030 0.20668 0.40933 1.00000
Zn4 Zn 0.68970 0.59067 0.79332 1.00000
Co1 Co 0.25000 0.91751 0.08249 1.00000
Co2 Co 0.75000 0.08249 0.91751 1.00000
Se1 Se 0.25000 0.26798 0.73202 1.00000
Se2 Se 0.75000 0.73202 0.26798 1.00000
O1 O 0.09828 0.97092 0.81957 1.00000
O2 O 0.40172 0.18043 0.02908 1.00000
O3 O 0.90172 0.02908 0.18043 1.00000
O4 O 0.59828 0.81957 0.97092 1.00000
O5 O 0.39882 0.86885 0.33785 1.00000
O6 O 0.10118 0.66215 0.13115 1.00000
O7 O 0.60118 0.13115 0.66215 1.00000
O8 O 0.89882 0.33785 0.86885 1.00000
O9 O 0.84220 0.72275 0.52637 1.00000
O10 O 0.65780 0.47363 0.27725 1.00000
O11 O 0.15780 0.27725 0.47363 1.00000
O12 O 0.34220 0.52637 0.72275 1.00000
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