Sr2ScAu3
Alexandria ALEXAlex-ID: agm040743713 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
ScAu SrAu
2025-04-14 09:33:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040743713).
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 agm040743713
data_agm040743713
_cell_length_a 5.97495
_cell_length_b 7.90177
_cell_length_c 14.77398
_cell_angle_alpha 74.54634
_cell_angle_beta 84.31458
_cell_angle_gamma 70.38180
_cell_volume 633.23864
_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
Sr1 Sr 0.76751 0.30485 0.74332 1.00000
Sr2 Sr 0.22726 0.52862 0.58162 1.00000
Sr3 Sr 0.77274 0.47138 0.41838 1.00000
Sr4 Sr 0.23249 0.69515 0.25668 1.00000
Sr5 Sr 0.19142 0.19341 0.24214 1.00000
Sr6 Sr 0.78182 0.64565 0.08720 1.00000
Sr7 Sr 0.21818 0.35435 0.91280 1.00000
Sr8 Sr 0.80858 0.80659 0.75786 1.00000
Sc1 Sc 0.23409 0.02807 0.58136 1.00000
Sc2 Sc 0.76591 0.97193 0.41864 1.00000
Sc3 Sc 0.76117 0.13963 0.07619 1.00000
Sc4 Sc 0.23883 0.86037 0.92381 1.00000
Au1 Au 0.65406 0.71026 0.57762 1.00000
Au2 Au 0.70199 0.12693 0.57621 1.00000
Au3 Au 0.34594 0.28974 0.42238 1.00000
Au4 Au 0.29801 0.87307 0.42379 1.00000
Au5 Au 0.67604 0.87998 0.25023 1.00000
Au6 Au 0.65206 0.28619 0.24837 1.00000
Au7 Au 0.29847 0.00012 0.07377 1.00000
Au8 Au 0.34822 0.50373 0.08031 1.00000
Au9 Au 0.70153 0.99988 0.92623 1.00000
Au10 Au 0.65178 0.49627 0.91969 1.00000
Au11 Au 0.32396 0.12002 0.74977 1.00000
Au12 Au 0.34794 0.71381 0.75163 1.00000
