Zr2Co3Si5
Alexandria ALEXAlex-ID: agm005608446 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_324_spg72
Zr2Co3Si5
2023-06-25 09:41:08.313923
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608446).
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 agm005608446
data_agm005608446
_cell_length_a 5.50288
_cell_length_b 7.64488
_cell_length_c 7.64488
_cell_angle_alpha 75.46113
_cell_angle_beta 68.90558
_cell_angle_gamma 68.90558
_cell_volume 277.21123
_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 0.13639 0.59419 0.13304 1.00000
Zr2 Zr 0.63639 0.13304 0.59419 1.00000
Zr3 Zr 0.86361 0.40581 0.86696 1.00000
Zr4 Zr 0.36361 0.86696 0.40581 1.00000
Co1 Co 0.36202 0.52843 0.74754 1.00000
Co2 Co 0.86202 0.74754 0.52843 1.00000
Co3 Co 0.63798 0.47157 0.25246 1.00000
Co4 Co 0.13798 0.25246 0.47157 1.00000
Co5 Co 0.25000 0.00000 0.00000 1.00000
Co6 Co 0.75000 0.00000 0.00000 1.00000
Si1 Si 0.40043 0.26125 0.93790 1.00000
Si2 Si 0.90043 0.93790 0.26125 1.00000
Si3 Si 0.59957 0.73875 0.06210 1.00000
Si4 Si 0.09957 0.06210 0.73875 1.00000
Si5 Si 0.47711 0.77289 0.77289 1.00000
Si6 Si 0.52289 0.22711 0.22711 1.00000
Si7 Si 0.75000 0.50000 0.50000 1.00000
Si8 Si 0.25000 0.50000 0.50000 1.00000
Si9 Si 0.02289 0.22711 0.22711 1.00000
Si10 Si 0.97711 0.77289 0.77289 1.00000
