Ac4B5C2
Alexandria ALEXAlex-ID: agm005683705 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_685_spg2
Ac(BC)2 AcB6 Ac
2023-06-21 11:12:23.939747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683705).
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 agm005683705
data_agm005683705
_cell_length_a 4.11719
_cell_length_b 4.33826
_cell_length_c 15.13950
_cell_angle_alpha 88.51463
_cell_angle_beta 107.52145
_cell_angle_gamma 91.73610
_cell_volume 257.70878
_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 0.38759 0.24382 0.62529 1.00000
Ac2 Ac 0.36090 0.74993 0.87089 1.00000
Ac3 Ac 0.61241 0.75618 0.37471 1.00000
Ac4 Ac 0.63910 0.25007 0.12911 1.00000
B1 B 0.09217 0.71644 0.08349 1.00000
B2 B 0.11644 0.75651 0.18813 1.00000
B3 B 0.00000 0.50000 0.00000 1.00000
B4 B 0.88356 0.24349 0.81187 1.00000
B5 B 0.90783 0.28356 0.91651 1.00000
C1 C 0.00845 0.22473 0.73305 1.00000
C2 C 0.99155 0.77527 0.26695 1.00000
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