Yb2Br3
Alexandria ALEXAlex-ID: agm002201545 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_117_spg12
YbBr2 Yb
2018-07-09 09:01:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201545).
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 agm002201545
data_agm002201545
_cell_length_a 4.46205
_cell_length_b 8.43291
_cell_length_c 10.32318
_cell_angle_alpha 68.28771
_cell_angle_beta 77.52883
_cell_angle_gamma 74.65739
_cell_volume 344.98596
_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
Yb1 Yb 0.85843 0.96987 0.31320 1.00000
Yb2 Yb 0.14157 0.03013 0.68680 1.00000
Yb3 Yb 0.60425 0.72377 0.06769 1.00000
Yb4 Yb 0.39575 0.27623 0.93231 1.00000
Br1 Br 0.04792 0.64004 0.26416 1.00000
Br2 Br 0.95208 0.35996 0.73584 1.00000
Br3 Br 0.22156 0.67500 0.88165 1.00000
Br4 Br 0.77844 0.32500 0.11835 1.00000
Br5 Br 0.65651 0.17533 0.51167 1.00000
Br6 Br 0.34349 0.82467 0.48833 1.00000
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