YZr2Co
Alexandria ALEXAlex-ID: agm005736596 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7452_spg62
Zr7Co3 Y3Co Y
2023-07-12 00:07:43.789844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736596).
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 agm005736596
data_agm005736596
_cell_length_a 5.84635
_cell_length_b 9.16965
_cell_length_c 13.06595
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 700.45308
_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
Y1 Y 0.55708 0.25000 0.14316 1.00000
Y2 Y 0.05708 0.75000 0.35684 1.00000
Y3 Y 0.44292 0.75000 0.85684 1.00000
Y4 Y 0.94292 0.25000 0.64316 1.00000
Y5 Y 0.77033 0.25000 0.39165 1.00000
Y6 Y 0.27033 0.75000 0.10835 1.00000
Y7 Y 0.22967 0.75000 0.60835 1.00000
Y8 Y 0.72967 0.25000 0.89165 1.00000
Zr1 Zr 0.08384 0.06793 0.21370 1.00000
Zr2 Zr 0.58384 0.93207 0.28630 1.00000
Zr3 Zr 0.91616 0.56793 0.78630 1.00000
Zr4 Zr 0.41616 0.43207 0.71370 1.00000
Zr5 Zr 0.91616 0.93207 0.78630 1.00000
Zr6 Zr 0.41616 0.06793 0.71370 1.00000
Zr7 Zr 0.08384 0.43207 0.21370 1.00000
Zr8 Zr 0.58384 0.56793 0.28630 1.00000
Zr9 Zr 0.75724 0.56093 0.03580 1.00000
Zr10 Zr 0.25724 0.43907 0.46420 1.00000
Zr11 Zr 0.24276 0.06093 0.96420 1.00000
Zr12 Zr 0.74276 0.93907 0.53580 1.00000
Zr13 Zr 0.24276 0.43907 0.96420 1.00000
Zr14 Zr 0.74276 0.56093 0.53580 1.00000
Zr15 Zr 0.75724 0.93907 0.03580 1.00000
Zr16 Zr 0.25724 0.06093 0.46420 1.00000
Co1 Co 0.30568 0.25000 0.32495 1.00000
Co2 Co 0.80568 0.75000 0.17505 1.00000
Co3 Co 0.69432 0.75000 0.67505 1.00000
Co4 Co 0.19432 0.25000 0.82495 1.00000
Co5 Co 0.01902 0.25000 0.06695 1.00000
Co6 Co 0.51902 0.75000 0.43305 1.00000
Co7 Co 0.98098 0.75000 0.93305 1.00000
Co8 Co 0.48098 0.25000 0.56695 1.00000
