ScAgSb2
Alexandria ALEXAlex-ID: agm005740451 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9253_spg129
Sb Ag ScSb
2023-07-13 12:00:08.317917
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005740451).
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 agm005740451
data_agm005740451
_cell_length_a 5.78484
_cell_length_b 5.79167
_cell_length_c 11.80835
_cell_angle_alpha 90.00006
_cell_angle_beta 89.99992
_cell_angle_gamma 89.81900
_cell_volume 395.62354
_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 0.25263 0.74799 0.54408 1.00000
Sc2 Sc 0.75263 0.24799 0.95592 1.00000
Sc3 Sc 0.74737 0.25201 0.45592 1.00000
Sc4 Sc 0.24737 0.75201 0.04408 1.00000
Ag1 Ag 0.24361 0.25506 0.75081 1.00000
Ag2 Ag 0.74361 0.75506 0.74919 1.00000
Ag3 Ag 0.75639 0.74494 0.24919 1.00000
Ag4 Ag 0.25639 0.24494 0.25081 1.00000
Sb1 Sb 0.24789 0.24843 0.50058 1.00000
Sb2 Sb 0.74789 0.74843 0.99942 1.00000
Sb3 Sb 0.75211 0.75157 0.49942 1.00000
Sb4 Sb 0.25211 0.25157 0.00058 1.00000
Sb5 Sb 0.24399 0.75477 0.78954 1.00000
Sb6 Sb 0.74399 0.25477 0.71046 1.00000
Sb7 Sb 0.75601 0.24523 0.21046 1.00000
Sb8 Sb 0.25601 0.74523 0.28954 1.00000
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