Sc6Bi3Te
Alexandria ALEXAlex-ID: agm003575985 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_290_spg36
Sc5Bi3 ScTe
2022-04-24 21:45:32.114295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003575985).
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 agm003575985
data_agm003575985
_cell_length_a 7.22380
_cell_length_b 8.86134
_cell_length_c 8.86134
_cell_angle_alpha 104.72657
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 548.60343
_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 0.15933 0.72180 0.60080 1.00000
Sc2 Sc 0.65933 0.60080 0.72180 1.00000
Sc3 Sc 0.24621 0.45678 0.92616 1.00000
Sc4 Sc 0.74621 0.92616 0.45678 1.00000
Sc5 Sc 0.24547 0.00611 0.99389 1.00000
Sc6 Sc 0.61908 0.24657 0.75343 1.00000
Sc7 Sc 0.11908 0.75343 0.24657 1.00000
Sc8 Sc 0.74547 0.99389 0.00611 1.00000
Sc9 Sc 0.24621 0.07384 0.54322 1.00000
Sc10 Sc 0.74621 0.54322 0.07384 1.00000
Sc11 Sc 0.15933 0.39920 0.27820 1.00000
Sc12 Sc 0.65933 0.27820 0.39920 1.00000
Bi1 Bi 0.49421 0.90610 0.71828 1.00000
Bi2 Bi 0.99421 0.71828 0.90610 1.00000
Bi3 Bi 0.33142 0.41177 0.58823 1.00000
Bi4 Bi 0.83142 0.58823 0.41177 1.00000
Bi5 Bi 0.99421 0.09390 0.28172 1.00000
Bi6 Bi 0.49421 0.28172 0.09390 1.00000
Te1 Te 0.98988 0.17204 0.82796 1.00000
Te2 Te 0.48988 0.82796 0.17204 1.00000
