Sc3InRu
Alexandria ALEXAlex-ID: agm005800513 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6933_spg2
Sc2InRu Sc2In Sc2Ru
2023-07-05 16:28:18.934019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005800513).
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 agm005800513
data_agm005800513
_cell_length_a 5.45096
_cell_length_b 5.45096
_cell_length_c 8.32708
_cell_angle_alpha 102.23823
_cell_angle_beta 102.23567
_cell_angle_gamma 110.63541
_cell_volume 214.88528
_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 0.29870 0.79871 0.09741 1.00000
Sc2 Sc 0.70130 0.20129 0.90259 1.00000
Sc3 Sc 0.07922 0.19449 0.27370 1.00000
Sc4 Sc 0.92078 0.80551 0.72630 1.00000
Sc5 Sc 0.69446 0.57927 0.27373 1.00000
Sc6 Sc 0.30554 0.42073 0.72627 1.00000
In1 In 0.71810 0.21810 0.50000 1.00000
In2 In 0.28190 0.78190 0.50000 1.00000
Ru1 Ru 0.25001 0.25001 0.00000 1.00000
Ru2 Ru 0.74999 0.74999 1.00000 1.00000
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