Ac6Ni2HBr3
Alexandria ALEXAlex-ID: agm007753402 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
AcHBr2 Ac2Ni2Br Ac
2024-03-16 12:12:06.326445
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007753402).
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 agm007753402
data_agm007753402
_cell_length_a 10.42721
_cell_length_b 10.42721
_cell_length_c 9.47683
_cell_angle_alpha 67.91604
_cell_angle_beta 67.91604
_cell_angle_gamma 23.33397
_cell_volume 376.85250
_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 0.64771 0.64771 0.89852 1.00000
Ac2 Ac 0.32214 0.32214 0.54723 1.00000
Ac3 Ac 0.35225 0.35225 0.10152 1.00000
Ac4 Ac 0.99315 0.99315 0.21758 1.00000
Ac5 Ac 0.00685 0.00685 0.78241 1.00000
Ac6 Ac 0.67798 0.67798 0.45293 1.00000
Ni1 Ni 0.16136 0.16136 0.67826 1.00000
Ni2 Ni 0.83872 0.83872 0.32188 1.00000
H1 H 0.49991 0.49991 0.99936 1.00000
Br1 Br 0.50009 0.50009 0.50003 1.00000
Br2 Br 0.17408 0.17408 0.16699 1.00000
Br3 Br 0.82585 0.82585 0.83329 1.00000
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