Ca3(Ac4Co)2
Alexandria ALEXAlex-ID: agm005646935 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_208_spg12
Ac3Co Ca Ac
2023-06-15 15:10:25.683824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646935).
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 agm005646935
data_agm005646935
_cell_length_a 6.79317
_cell_length_b 8.37522
_cell_length_c 10.69256
_cell_angle_alpha 113.05646
_cell_angle_beta 85.12659
_cell_angle_gamma 90.00000
_cell_volume 557.35949
_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 0.50000 0.00000 0.00000 1.00000
Ca2 Ca 0.00000 0.25535 0.00000 1.00000
Ca3 Ca 1.00000 0.74465 1.00000 1.00000
Ac1 Ac 0.13924 0.32657 0.65314 1.00000
Ac2 Ac 0.86076 0.67343 0.34686 1.00000
Ac3 Ac 0.13472 0.83753 0.67506 1.00000
Ac4 Ac 0.86528 0.16247 0.32494 1.00000
Ac5 Ac 0.36557 0.91024 0.32821 1.00000
Ac6 Ac 0.36557 0.41797 0.32821 1.00000
Ac7 Ac 0.63443 0.58203 0.67179 1.00000
Ac8 Ac 0.63443 0.08976 0.67179 1.00000
Co1 Co 0.49752 0.75105 0.50209 1.00000
Co2 Co 0.50248 0.24895 0.49791 1.00000
Get direct link