Ac6SiP2Br3
Alexandria ALEXAlex-ID: agm040453908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Ac6P5Br Ac2PBr2 Ac2SiBr Ac
2024-11-09 00:35:00.976530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040453908).
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 agm040453908
data_agm040453908
_cell_length_a 7.73132
_cell_length_b 7.73132
_cell_length_c 8.08564
_cell_angle_alpha 80.82025
_cell_angle_beta 80.82025
_cell_angle_gamma 120.00506
_cell_volume 396.65493
_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 0.59396 0.93003 0.70937 1.00000
Ac2 Ac 0.73343 0.73343 0.29095 1.00000
Ac3 Ac 0.40604 0.06997 0.29063 1.00000
Ac4 Ac 0.93003 0.59396 0.70937 1.00000
Ac5 Ac 0.26657 0.26657 0.70905 1.00000
Ac6 Ac 0.06997 0.40604 0.29063 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
P1 P 0.66684 0.33316 0.50000 1.00000
P2 P 0.33316 0.66684 0.50000 1.00000
Br1 Br 0.83586 0.16414 0.00000 1.00000
Br2 Br 0.16414 0.83586 0.00000 1.00000
Br3 Br 0.50000 0.50000 0.00000 1.00000
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