ZrCo4
Alexandria ALEXAlex-ID: agm005409925 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_324_spg139
Zr6Co23 Co
2023-03-17 12:29:24.612485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005409925).
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 agm005409925
data_agm005409925
_cell_length_a 4.57173
_cell_length_b 4.57173
_cell_length_c 4.57173
_cell_angle_alpha 99.43273
_cell_angle_beta 99.43273
_cell_angle_gamma 132.23872
_cell_volume 64.68624
_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 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.58413 0.18313 0.76726 1.00000
Co2 Co 0.41587 0.81687 0.23274 1.00000
Co3 Co 0.18313 0.41587 0.59900 1.00000
Co4 Co 0.81687 0.58413 0.40100 1.00000
