AcCo2B
Alexandria ALEXAlex-ID: agm005752106 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9023_spg63
Ac(Co2B)6 Ac(CoB)2 AcCo
2023-07-11 19:40:17.458872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752106).
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 agm005752106
data_agm005752106
_cell_length_a 3.71442
_cell_length_b 8.09535
_cell_length_c 8.83760
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.26274
_cell_volume 258.65503
_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 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.50000 0.00000 0.00000 1.00000
Ac3 Ac 0.66841 0.33683 0.25000 1.00000
Ac4 Ac 0.33159 0.66317 0.75000 1.00000
Co1 Co 0.13844 0.27688 0.75000 1.00000
Co2 Co 0.01190 0.02380 0.25000 1.00000
Co3 Co 0.86156 0.72312 0.25000 1.00000
Co4 Co 0.98810 0.97620 0.75000 1.00000
Co5 Co 0.28780 0.57561 0.41588 1.00000
Co6 Co 0.71220 0.42439 0.58412 1.00000
Co7 Co 0.71220 0.42439 0.91588 1.00000
Co8 Co 0.28780 0.57561 0.08412 1.00000
B1 B 0.82255 0.64509 0.46317 1.00000
B2 B 0.17745 0.35491 0.96317 1.00000
B3 B 0.82255 0.64509 0.03683 1.00000
B4 B 0.17745 0.35491 0.53683 1.00000
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