Al12Co17
Alexandria ALEXAlex-ID: agm006215134 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A12B17_45_spg121
AlCo Co
2023-11-25 22:58:29.525125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006215134).
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 agm006215134
data_agm006215134
_cell_length_a 7.75884
_cell_length_b 7.75884
_cell_length_c 7.75884
_cell_angle_alpha 109.47118
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 359.55843
_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 0.69609 1.00000 0.41637 1.00000
Co2 Co 0.41637 0.00000 0.69609 1.00000
Co3 Co 0.58363 0.27972 0.58363 1.00000
Co4 Co 0.30391 0.72028 0.30391 1.00000
Co5 Co 1.00000 0.69609 0.41637 1.00000
Co6 Co 1.00000 0.41637 0.69609 1.00000
Co7 Co 0.72028 0.30391 0.30391 1.00000
Co8 Co 0.27972 0.58363 0.58363 1.00000
Co9 Co 0.30391 0.30391 0.72028 1.00000
Co10 Co 0.58363 0.58363 0.27972 1.00000
Co11 Co 0.69609 0.41637 1.00000 1.00000
Co12 Co 0.41637 0.69609 0.00000 1.00000
Co13 Co 1.00000 1.00000 0.65555 1.00000
Co14 Co 0.65555 0.00000 0.00000 1.00000
Co15 Co 0.34445 0.34445 0.34445 1.00000
Co16 Co 1.00000 0.65555 1.00000 1.00000
Co17 Co 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.20315 0.00000 0.39855 1.00000
Al2 Al 0.39855 0.00000 0.20315 1.00000
Al3 Al 0.60145 0.80460 0.60145 1.00000
Al4 Al 0.79685 0.19540 0.79685 1.00000
Al5 Al 0.00000 0.20315 0.39855 1.00000
Al6 Al 0.00000 0.39855 0.20315 1.00000
Al7 Al 0.19540 0.79685 0.79685 1.00000
Al8 Al 0.80460 0.60145 0.60145 1.00000
Al9 Al 0.79685 0.79685 0.19540 1.00000
Al10 Al 0.60145 0.60145 0.80460 1.00000
Al11 Al 0.20315 0.39855 0.00000 1.00000
Al12 Al 0.39855 0.20315 0.00000 1.00000
