Ac2B3C
Alexandria ALEXAlex-ID: agm005696926 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1869_spg70
Ac(BC)2 AcB6 Ac
2023-08-07 05:37:45.864374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696926).
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 agm005696926
data_agm005696926
_cell_length_a 6.35848
_cell_length_b 7.66917
_cell_length_c 8.93905
_cell_angle_alpha 81.52159
_cell_angle_beta 69.16627
_cell_angle_gamma 65.50917
_cell_volume 370.74973
_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 0.85416 0.50000 0.29169 1.00000
Ac2 Ac 0.10416 0.00000 0.79169 1.00000
Ac3 Ac 0.89584 1.00000 0.20831 1.00000
Ac4 Ac 0.64584 0.50000 0.70831 1.00000
Ac5 Ac 0.39620 1.00000 0.20760 1.00000
Ac6 Ac 0.60380 0.00000 0.79240 1.00000
Ac7 Ac 0.35380 0.50000 0.29240 1.00000
Ac8 Ac 0.14620 0.50000 0.70760 1.00000
B1 B 0.37591 0.72665 0.99895 1.00000
B2 B 0.10151 0.27335 0.00105 1.00000
B3 B 0.89744 0.72665 0.00105 1.00000
B4 B 0.62514 0.27335 0.99895 1.00000
B5 B 0.37409 0.77335 0.50105 1.00000
B6 B 0.64849 0.22665 0.49895 1.00000
B7 B 0.85256 0.77335 0.49895 1.00000
B8 B 0.44163 0.11675 0.50000 1.00000
B9 B 0.69163 0.61675 0.00000 1.00000
B10 B 0.30837 0.38325 1.00000 1.00000
B11 B 0.05837 0.88325 0.50000 1.00000
B12 B 0.12486 0.22665 0.50105 1.00000
C1 C 0.56578 0.86844 0.50000 1.00000
C2 C 0.18422 0.63156 0.00000 1.00000
C3 C 0.93422 0.13156 0.50000 1.00000
C4 C 0.81578 0.36844 1.00000 1.00000
