ScPRu
Alexandria ALEXAlex-ID: agm002124503 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_4605_spg12
ScPRu
2021-11-12 23:56:41.721118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002124503).
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 agm002124503
data_agm002124503
_cell_length_a 5.27272
_cell_length_b 3.71776
_cell_length_c 10.39958
_cell_angle_alpha 90.00000
_cell_angle_beta 103.00889
_cell_angle_gamma 90.00000
_cell_volume 198.62800
_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 0.24131 0.00000 0.19727 1.00000
Sc2 Sc 0.24131 0.50000 0.69727 1.00000
Sc3 Sc 0.62794 0.00000 0.95166 1.00000
Sc4 Sc 0.62794 0.50000 0.45166 1.00000
P1 P 0.58125 0.00000 0.64570 1.00000
P2 P 0.58125 0.50000 0.14570 1.00000
P3 P 0.08698 0.00000 0.85805 1.00000
P4 P 0.08698 0.50000 0.35805 1.00000
Ru1 Ru 0.18625 0.00000 0.48890 1.00000
Ru2 Ru 0.18625 0.50000 0.98890 1.00000
Ru3 Ru 0.78707 0.00000 0.26720 1.00000
Ru4 Ru 0.78707 0.50000 0.76720 1.00000
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