ScSnBi
Alexandria ALEXAlex-ID: agm005678948 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2572_spg12
ScSn2 Bi ScBi
2023-06-18 10:31:59.855535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678948).
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 agm005678948
data_agm005678948
_cell_length_a 4.37435
_cell_length_b 6.42268
_cell_length_c 6.22760
_cell_angle_alpha 76.10268
_cell_angle_beta 69.32500
_cell_angle_gamma 89.92213
_cell_volume 158.23272
_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 0.34565 0.41083 0.80810 1.00000
Sc2 Sc 0.65435 0.58917 0.19190 1.00000
Sn1 Sn 0.29762 0.88662 0.90545 1.00000
Sn2 Sn 0.70238 0.11338 0.09455 1.00000
Bi1 Bi 0.01830 0.26093 0.46295 1.00000
Bi2 Bi 0.98170 0.73907 0.53705 1.00000
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