Ac3As2Br
Alexandria ALEXAlex-ID: agm005754327 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1467_spg63
Ac2AsBr2 Ac6As5Br Ac
2023-08-07 05:28:00.667906
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754327).
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 agm005754327
data_agm005754327
_cell_length_a 4.57148
_cell_length_b 8.58964
_cell_length_c 12.69789
_cell_angle_alpha 89.99996
_cell_angle_beta 89.99999
_cell_angle_gamma 105.43242
_cell_volume 480.63503
_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 0.63142 0.26284 0.01400 1.00000
Ac2 Ac 0.99803 0.99606 0.75000 1.00000
Ac3 Ac 0.63142 0.26284 0.48600 1.00000
Ac4 Ac 0.00197 0.00394 0.25000 1.00000
Ac5 Ac 0.36858 0.73716 0.98600 1.00000
Ac6 Ac 0.36858 0.73716 0.51400 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.00000 0.00000 0.50000 1.00000
As3 As 0.62643 0.25287 0.25000 1.00000
As4 As 0.37357 0.74713 0.75000 1.00000
Br1 Br 0.35845 0.71690 0.25000 1.00000
Br2 Br 0.64155 0.28310 0.75000 1.00000
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