Er2SiBr2
Alexandria ALEXAlex-ID: agm002316865 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_46_spg166
Er2SiBr2
2018-08-30 16:55:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002316865).
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 agm002316865
data_agm002316865
_cell_length_a 4.07991
_cell_length_b 4.07979
_cell_length_c 10.91649
_cell_angle_alpha 79.20778
_cell_angle_beta 79.20591
_cell_angle_gamma 60.00278
_cell_volume 153.64377
_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
Si1 Si 0.00002 0.99999 1.00000 1.00000
Br1 Br 0.22885 0.22891 0.31279 1.00000
Br2 Br 0.77108 0.77113 0.68721 1.00000
Er1 Er 0.61746 0.61750 0.14741 1.00000
Er2 Er 0.38259 0.38248 0.85259 1.00000
