SmYPt
Alexandria ALEXAlex-ID: agm005646282 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10965_spg14
SmYPt
2023-06-18 14:27:41.844779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646282).
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 agm005646282
data_agm005646282
_cell_length_a 5.77445
_cell_length_b 7.09230
_cell_length_c 8.54239
_cell_angle_alpha 91.81833
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 349.66953
_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 0.35041 0.18015 0.87402 1.00000
Sm2 Sm 0.64959 0.81985 0.12598 1.00000
Sm3 Sm 0.85041 0.31985 0.62598 1.00000
Sm4 Sm 0.14959 0.68015 0.37402 1.00000
Y1 Y 0.86666 0.30841 0.12599 1.00000
Y2 Y 0.63334 0.80841 0.62599 1.00000
Y3 Y 0.13334 0.69159 0.87401 1.00000
Y4 Y 0.36666 0.19159 0.37401 1.00000
Pt1 Pt 0.34176 0.46141 0.63562 1.00000
Pt2 Pt 0.65824 0.53859 0.36438 1.00000
Pt3 Pt 0.15824 0.96141 0.13562 1.00000
Pt4 Pt 0.84176 0.03859 0.86438 1.00000
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