AcCoH5
Alexandria ALEXAlex-ID: agm007354927 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_618_spg63
AcH3 AcCoH6 Co
2024-03-15 18:43:04.575737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007354927).
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 agm007354927
data_agm007354927
_cell_length_a 4.67198
_cell_length_b 4.64781
_cell_length_c 6.43297
_cell_angle_alpha 69.63183
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 130.95462
_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 0.75000 0.63678 0.71260 1.00000
Ac2 Ac 0.25000 0.36322 0.28740 1.00000
Co1 Co 0.75000 0.88417 0.14629 1.00000
Co2 Co 0.25000 0.11583 0.85371 1.00000
H1 H 0.98414 0.17946 0.01286 1.00000
H2 H 0.98874 0.85472 0.34071 1.00000
H3 H 0.25000 0.47477 0.75490 1.00000
H4 H 0.51126 0.85472 0.34071 1.00000
H5 H 0.51586 0.17946 0.01286 1.00000
H6 H 0.48414 0.82054 0.98714 1.00000
H7 H 0.48874 0.14528 0.65929 1.00000
H8 H 0.75000 0.52523 0.24510 1.00000
H9 H 0.01126 0.14528 0.65929 1.00000
H10 H 0.01586 0.82054 0.98714 1.00000
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