Ac6C2Br3N
Alexandria ALEXAlex-ID: agm004597166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Ac2C2Br Ac2Br3N Ac AcN
2022-06-26 17:47:01.456790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004597166).
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 agm004597166
data_agm004597166
_cell_length_a 6.89793
_cell_length_b 6.89793
_cell_length_c 8.34239
_cell_angle_alpha 97.92108
_cell_angle_beta 97.92108
_cell_angle_gamma 119.99920
_cell_volume 330.45130
_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 0.93846 0.60815 0.81503 1.00000
Ac2 Ac 0.73153 0.73153 0.18558 1.00000
Ac3 Ac 0.06154 0.39185 0.18497 1.00000
Ac4 Ac 0.60815 0.93846 0.81503 1.00000
Ac5 Ac 0.26847 0.26847 0.81442 1.00000
Ac6 Ac 0.39185 0.06154 0.18497 1.00000
C1 C 0.33375 0.66625 0.00000 1.00000
C2 C 0.66625 0.33375 0.00000 1.00000
Br1 Br 0.16965 0.83035 0.50000 1.00000
Br2 Br 0.83035 0.16965 0.50000 1.00000
Br3 Br 0.50000 0.50000 0.50000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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