ScZn(HBr4)2
Alexandria ALEXAlex-ID: agm007547560 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_373_spg2
ZnBr2 Br ScBr3 HBr
2024-03-05 11:04:55.140629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007547560).
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 agm007547560
data_agm007547560
_cell_length_a 7.60505
_cell_length_b 7.09220
_cell_length_c 6.71516
_cell_angle_alpha 88.80876
_cell_angle_beta 83.45992
_cell_angle_gamma 88.70799
_cell_volume 359.68343
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
H1 H 0.31703 0.73545 0.70952 1.00000
H2 H 0.68297 0.26455 0.29048 1.00000
Br1 Br 0.76347 0.18627 0.80130 1.00000
Br2 Br 0.94777 0.25594 0.28476 1.00000
Br3 Br 0.73367 0.79704 0.17147 1.00000
Br4 Br 0.23653 0.81373 0.19870 1.00000
Br5 Br 0.05223 0.74406 0.71524 1.00000
Br6 Br 0.26633 0.20296 0.82853 1.00000
Br7 Br 0.48166 0.26402 0.28649 1.00000
Br8 Br 0.51834 0.73598 0.71351 1.00000
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