Zr4Zn2CoCuO12
Alexandria ALEXAlex-ID: agm010534697 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E12_57_spg1
CoCuO2 ZnO ZrO2
2024-05-30 17:50:09.524145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010534697).
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 agm010534697
data_agm010534697
_cell_length_a 5.46592
_cell_length_b 5.52678
_cell_length_c 9.44814
_cell_angle_alpha 104.74228
_cell_angle_beta 86.28815
_cell_angle_gamma 116.66244
_cell_volume 246.26777
_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
Zr1 Zr 0.27385 0.55587 0.42510 1.00000
Zr2 Zr 0.79643 0.56590 0.92762 1.00000
Zr3 Zr 0.22559 0.44162 0.07417 1.00000
Zr4 Zr 0.69764 0.42786 0.57419 1.00000
Zn1 Zn 0.43695 0.91077 0.80295 1.00000
Zn2 Zn 0.93542 0.89931 0.30202 1.00000
Co1 Co 0.55640 0.09122 0.19108 1.00000
Cu1 Cu 0.01769 0.05108 0.67366 1.00000
O1 O 0.78431 0.25088 0.72320 1.00000
O2 O 0.27530 0.24943 0.22769 1.00000
O3 O 0.28539 0.27745 0.55145 1.00000
O4 O 0.81319 0.28942 0.04842 1.00000
O5 O 0.37025 0.26400 0.89629 1.00000
O6 O 0.83365 0.24998 0.38672 1.00000
O7 O 0.73039 0.76004 0.77259 1.00000
O8 O 0.23219 0.75936 0.27762 1.00000
O9 O 0.21337 0.72975 0.95955 1.00000
O10 O 0.68852 0.70721 0.45203 1.00000
O11 O 0.15977 0.75926 0.61683 1.00000
O12 O 0.67371 0.75962 0.11683 1.00000
Get direct link