SmGaPt3
Alexandria ALEXAlex-ID: agm005772393 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
Sm2GaPt6 SmGa2Pt3
2023-07-07 15:57:29.509310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772393).
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
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# CIF generated by HEAS from Alexandria entry agm005772393
data_agm005772393
_cell_length_a 4.09252
_cell_length_b 4.09297
_cell_length_c 6.38660
_cell_angle_alpha 71.31690
_cell_angle_beta 71.31835
_cell_angle_gamma 90.00336
_cell_volume 95.37213
_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
Sm1 Sm 0.38593 0.18940 0.93352 1.00000
Ga1 Ga 0.01981 0.82331 0.66575 1.00000
Pt1 Pt 0.64670 0.95022 0.41183 1.00000
Pt2 Pt 0.14672 0.45017 0.41186 1.00000
Pt3 Pt 0.80861 0.61208 0.08817 1.00000
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