Sm(HBr3)2
Alexandria ALEXAlex-ID: agm007283209 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_834_spg15
HBr SmBr3 Br
2024-03-05 06:44:16.442715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007283209).
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 agm007283209
data_agm007283209
_cell_length_a 7.37526
_cell_length_b 10.11238
_cell_length_c 8.91938
_cell_angle_alpha 92.84575
_cell_angle_beta 95.31159
_cell_angle_gamma 78.52765
_cell_volume 648.79764
_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
Sm1 Sm 0.21441 0.09760 0.92971 1.00000
Sm2 Sm 0.78127 0.90263 0.06905 1.00000
H1 H 0.26399 0.44649 0.82337 1.00000
H2 H 0.20650 0.23612 0.55810 1.00000
H3 H 0.73756 0.55302 0.17823 1.00000
H4 H 0.79728 0.76463 0.44150 1.00000
Br1 Br 0.23506 0.53717 0.66821 1.00000
Br2 Br 0.36136 0.30005 0.48251 1.00000
Br3 Br 0.77024 0.46255 0.33372 1.00000
Br4 Br 0.64422 0.69902 0.51914 1.00000
Br5 Br 0.97106 0.82973 0.35434 1.00000
Br6 Br 0.70082 0.63811 0.00721 1.00000
Br7 Br 0.02880 0.17224 0.64408 1.00000
Br8 Br 0.29697 0.36125 0.99417 1.00000
Br9 Br 0.10438 0.83600 0.90215 1.00000
Br10 Br 0.44382 0.01482 0.20627 1.00000
Br11 Br 0.89045 0.16452 0.09564 1.00000
Br12 Br 0.55182 0.98404 0.79260 1.00000
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