Ac8Co6Cl
Alexandria ALEXAlex-ID: agm072565321 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Ac3Co Ac2Co2Cl AcCo
2024-10-05 17:52:06.134098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072565321).
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 agm072565321
data_agm072565321
_cell_length_a 7.68533
_cell_length_b 7.68533
_cell_length_c 7.68533
_cell_angle_alpha 91.00536
_cell_angle_beta 91.00536
_cell_angle_gamma 91.00536
_cell_volume 453.71661
_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
Ac1 Ac 0.23134 0.23134 0.23134 1.00000
Ac2 Ac 0.76866 0.76866 0.76866 1.00000
Ac3 Ac 0.10172 0.38395 0.71420 1.00000
Ac4 Ac 0.71420 0.10172 0.38395 1.00000
Ac5 Ac 0.38395 0.71420 0.10172 1.00000
Ac6 Ac 0.89828 0.61605 0.28580 1.00000
Ac7 Ac 0.28580 0.89828 0.61605 1.00000
Ac8 Ac 0.61605 0.28580 0.89828 1.00000
Co1 Co 0.55256 0.42826 0.28905 1.00000
Co2 Co 0.28905 0.55256 0.42826 1.00000
Co3 Co 0.42826 0.28905 0.55256 1.00000
Co4 Co 0.44744 0.57174 0.71095 1.00000
Co5 Co 0.71095 0.44744 0.57174 1.00000
Co6 Co 0.57174 0.71095 0.44744 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Get direct link