Ac8Mn3HBr3
Alexandria ALEXAlex-ID: agm006720892 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
AcHBr2 AcBr3 Ac Mn
2024-02-25 10:19:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006720892).
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 agm006720892
data_agm006720892
_cell_length_a 8.61945
_cell_length_b 8.61945
_cell_length_c 9.50124
_cell_angle_alpha 63.01464
_cell_angle_beta 63.01471
_cell_angle_gamma 59.98543
_cell_volume 520.62682
_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 0.73433 0.73433 0.79626 1.00000
Ac2 Ac 0.26567 0.26567 0.20374 1.00000
Ac3 Ac 0.23455 0.73161 0.79936 1.00000
Ac4 Ac 0.76545 0.26839 0.20064 1.00000
Ac5 Ac 0.73162 0.23456 0.79936 1.00000
Ac6 Ac 0.26838 0.76544 0.20064 1.00000
Ac7 Ac 0.23584 0.23584 0.79862 1.00000
Ac8 Ac 0.76416 0.76416 0.20138 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
Mn2 Mn 0.00000 0.50000 0.00000 1.00000
Mn3 Mn 0.50000 0.50000 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.00000 0.50000 0.50000 1.00000
Br2 Br 0.50000 0.00000 0.50000 1.00000
Br3 Br 0.00000 0.00000 0.50000 1.00000
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