CaAc2Co
Alexandria ALEXAlex-ID: agm005603368 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2552_spg8
Ac3Co AcCo Ca4Ac2Co
2023-07-11 20:17:46.658094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603368).
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 agm005603368
data_agm005603368
_cell_length_a 4.07669
_cell_length_b 7.49261
_cell_length_c 10.12054
_cell_angle_alpha 83.33566
_cell_angle_beta 101.61924
_cell_angle_gamma 90.00000
_cell_volume 300.66525
_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
Ca1 Ca 0.49655 0.24488 0.99310 1.00000
Ca2 Ca 0.50345 0.75512 0.00690 1.00000
Ac1 Ac 0.16650 0.95389 0.33299 1.00000
Ac2 Ac 0.32457 0.56526 0.64915 1.00000
Ac3 Ac 0.67543 0.43474 0.35085 1.00000
Ac4 Ac 0.83350 0.04611 0.66701 1.00000
Co1 Co 0.25673 0.24602 0.51346 1.00000
Co2 Co 0.74327 0.75398 0.48654 1.00000
Get direct link