Zr6Co5Os
Alexandria ALEXAlex-ID: agm006116316 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Zr4CoOs3 ZrCo
2023-08-24 16:22:16.924134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116316).
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 agm006116316
data_agm006116316
_cell_length_a 4.55577
_cell_length_b 6.42008
_cell_length_c 7.19775
_cell_angle_alpha 90.00015
_cell_angle_beta 108.60129
_cell_angle_gamma 90.00007
_cell_volume 199.52541
_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
Os1 Os 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.66517 0.50000 0.33111 1.00000
Co2 Co 0.33322 1.00000 0.66616 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Co4 Co 0.66678 0.00000 0.33384 1.00000
Co5 Co 0.33483 0.50000 0.66889 1.00000
Zr1 Zr 0.83201 0.74822 0.66370 1.00000
Zr2 Zr 0.83201 0.25177 0.66370 1.00000
Zr3 Zr 0.50000 0.25310 1.00000 1.00000
Zr4 Zr 0.50000 0.74690 0.00000 1.00000
Zr5 Zr 0.16799 0.74823 0.33630 1.00000
Zr6 Zr 0.16799 0.25178 0.33630 1.00000
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