Ac4P2Br3
Alexandria ALEXAlex-ID: agm005692605 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Ac6P5Br Ac2PBr2 Ac
2023-06-27 22:44:42.610204
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692605).
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 agm005692605
data_agm005692605
_cell_length_a 4.43326
_cell_length_b 4.43327
_cell_length_c 18.62071
_cell_angle_alpha 90.05334
_cell_angle_beta 89.94687
_cell_angle_gamma 120.00022
_cell_volume 316.93710
_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 0.33364 0.66637 0.88234 1.00000
Ac2 Ac 0.99923 0.00077 0.29330 1.00000
Ac3 Ac 0.00077 0.99923 0.70670 1.00000
Ac4 Ac 0.66636 0.33363 0.11766 1.00000
P1 P 0.66720 0.33280 0.79657 1.00000
P2 P 0.33280 0.66720 0.20343 1.00000
Br1 Br 0.66564 0.33436 0.39707 1.00000
Br2 Br 0.00000 0.00000 0.00000 1.00000
Br3 Br 0.33436 0.66564 0.60293 1.00000
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