Zr3Co5
Alexandria ALEXAlex-ID: agm005519366 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_289_spg63
ZrCo2 ZrCo
2023-07-17 18:08:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519366).
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 agm005519366
data_agm005519366
_cell_length_a 7.41135
_cell_length_b 7.41177
_cell_length_c 4.61434
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.34935
_cell_volume 243.22183
_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 0.96532 0.22118 0.25000 1.00000
Co2 Co 0.03472 0.77881 0.75000 1.00000
Co3 Co 0.22123 0.96528 0.25000 1.00000
Co4 Co 0.10367 0.10370 0.75000 1.00000
Co5 Co 0.30784 0.69219 0.99998 1.00000
Co6 Co 0.30784 0.69219 0.50002 1.00000
Co7 Co 0.69218 0.30782 0.00002 1.00000
Co8 Co 0.69218 0.30782 0.49998 1.00000
Co9 Co 0.77877 0.03470 0.75000 1.00000
Co10 Co 0.89631 0.89628 0.25000 1.00000
Zr1 Zr 0.05821 0.40457 0.75000 1.00000
Zr2 Zr 0.94185 0.59545 0.25000 1.00000
Zr3 Zr 0.40455 0.05826 0.75000 1.00000
Zr4 Zr 0.36223 0.36231 0.25000 1.00000
Zr5 Zr 0.59543 0.94173 0.25000 1.00000
Zr6 Zr 0.63777 0.63770 0.75000 1.00000
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