AlC6N
Alexandria ALEXAlex-ID: agm005249182 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1516_spg62
C AlN
2024-10-20 04:33:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249182).
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 agm005249182
data_agm005249182
_cell_length_a 7.04536
_cell_length_b 10.07655
_cell_length_c 6.71841
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 476.95964
_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
Al1 Al 0.62811 0.75000 0.19470 1.00000
Al2 Al 0.87189 0.75000 0.69470 1.00000
Al3 Al 0.37189 0.25000 0.80530 1.00000
Al4 Al 0.12811 0.25000 0.30530 1.00000
C1 C 0.20483 0.75000 0.28865 1.00000
C2 C 0.29517 0.75000 0.78865 1.00000
C3 C 0.79517 0.25000 0.71135 1.00000
C4 C 0.70483 0.25000 0.21135 1.00000
C5 C 0.32815 0.86252 0.26719 1.00000
C6 C 0.17185 0.63748 0.76719 1.00000
C7 C 0.67185 0.36252 0.73281 1.00000
C8 C 0.82815 0.13748 0.23281 1.00000
C9 C 0.67185 0.13748 0.73281 1.00000
C10 C 0.82815 0.36252 0.23281 1.00000
C11 C 0.32815 0.63748 0.26719 1.00000
C12 C 0.17185 0.86252 0.76719 1.00000
C13 C 0.85912 0.75000 0.37996 1.00000
C14 C 0.64088 0.75000 0.87996 1.00000
C15 C 0.14088 0.25000 0.62004 1.00000
C16 C 0.35912 0.25000 0.12004 1.00000
C17 C 0.48590 0.91747 0.24527 1.00000
C18 C 0.01410 0.58253 0.74527 1.00000
C19 C 0.51410 0.41747 0.75473 1.00000
C20 C 0.98590 0.08253 0.25473 1.00000
C21 C 0.51410 0.08253 0.75473 1.00000
C22 C 0.98590 0.41747 0.25473 1.00000
C23 C 0.48590 0.58253 0.24527 1.00000
C24 C 0.01410 0.91747 0.74527 1.00000
N1 N 0.02497 0.75000 0.32075 1.00000
N2 N 0.47503 0.75000 0.82075 1.00000
N3 N 0.97503 0.25000 0.67925 1.00000
N4 N 0.52497 0.25000 0.17925 1.00000
