Sc3(GaPt2)2
Alexandria ALEXAlex-ID: agm005646256 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_360_spg12
ScGaPt ScPt2
2023-06-28 05:39:30.897922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646256).
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 agm005646256
data_agm005646256
_cell_length_a 4.07680
_cell_length_b 6.15947
_cell_length_c 6.93834
_cell_angle_alpha 102.24132
_cell_angle_beta 107.11031
_cell_angle_gamma 89.97791
_cell_volume 162.37177
_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 0.13944 0.52608 0.27821 1.00000
Sc2 Sc 0.86056 0.47392 0.72179 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.64785 0.15215 0.29469 1.00000
Ga2 Ga 0.35215 0.84785 0.70531 1.00000
Pt1 Pt 0.52873 0.72542 0.05582 1.00000
Pt2 Pt 0.25940 0.19358 0.51732 1.00000
Pt3 Pt 0.47127 0.27458 0.94418 1.00000
Pt4 Pt 0.74060 0.80642 0.48268 1.00000
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