Sc6SbAs5
Alexandria ALEXAlex-ID: agm006126296 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
ScSb ScAs
2023-09-05 22:52:43.490918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126296).
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 agm006126296
data_agm006126296
_cell_length_a 6.80111
_cell_length_b 6.81096
_cell_length_c 6.80597
_cell_angle_alpha 59.97577
_cell_angle_beta 80.37729
_cell_angle_gamma 70.48373
_cell_volume 257.27980
_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 0.74266 0.08592 0.34615 1.00000
Sc2 Sc 0.25734 0.56793 0.34615 1.00000
Sc3 Sc 0.25437 0.26158 1.00000 1.00000
Sc4 Sc 0.74563 0.73842 0.00000 1.00000
Sc5 Sc 0.74266 0.43207 0.65385 1.00000
Sc6 Sc 0.25734 0.91408 0.65385 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
As1 As 0.50000 0.16279 0.67442 1.00000
As2 As 0.00000 0.33277 0.33446 1.00000
As3 As 0.50000 0.50000 0.00000 1.00000
As4 As 1.00000 0.66723 0.66554 1.00000
As5 As 0.50000 0.83721 0.32558 1.00000
Get direct link