Sm(SeBr)2
Alexandria ALEXAlex-ID: agm002314865 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_337_spg2
Sm10Se19 SmBr3 Se
2018-10-20 02:57:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002314865).
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
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# CIF generated by HEAS from Alexandria entry agm002314865
data_agm002314865
_cell_length_a 7.58775
_cell_length_b 8.05264
_cell_length_c 8.69145
_cell_angle_alpha 57.95222
_cell_angle_beta 62.10329
_cell_angle_gamma 62.06077
_cell_volume 380.23494
_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
Se1 Se 0.76919 0.01840 0.95635 1.00000
Se2 Se 0.23081 0.98160 0.04365 1.00000
Se3 Se 0.05831 0.11642 0.73009 1.00000
Se4 Se 0.94169 0.88358 0.26991 1.00000
Br1 Br 0.59027 0.64334 0.73719 1.00000
Br2 Br 0.40973 0.35666 0.26281 1.00000
Br3 Br 0.87872 0.41766 0.26323 1.00000
Br4 Br 0.12128 0.58234 0.73677 1.00000
Sm1 Sm 0.83239 0.33739 0.99999 1.00000
Sm2 Sm 0.16761 0.66261 0.00001 1.00000
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