SmDyPt
Alexandria ALEXAlex-ID: agm005646464 · Space group: Pbca (#61)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_258_spg61
SmDyPt
2023-06-18 11:56:29.125385
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646464).
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 agm005646464
data_agm005646464
_cell_length_a 6.90282
_cell_length_b 7.17291
_cell_length_c 13.43311
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 665.11777
_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 0.80881 0.39196 0.80032 1.00000
Sm2 Sm 0.19119 0.60804 0.19968 1.00000
Sm3 Sm 0.69119 0.89196 0.19968 1.00000
Sm4 Sm 0.19119 0.10804 0.30032 1.00000
Sm5 Sm 0.30881 0.10804 0.80032 1.00000
Sm6 Sm 0.80881 0.89196 0.69968 1.00000
Sm7 Sm 0.30881 0.60804 0.69968 1.00000
Sm8 Sm 0.69119 0.39196 0.30032 1.00000
Dy1 Dy 0.00305 0.26106 0.53087 1.00000
Dy2 Dy 0.99695 0.73894 0.46913 1.00000
Dy3 Dy 0.49695 0.76106 0.46913 1.00000
Dy4 Dy 0.99695 0.23894 0.03087 1.00000
Dy5 Dy 0.50305 0.23894 0.53087 1.00000
Dy6 Dy 0.00305 0.76106 0.96913 1.00000
Dy7 Dy 0.50305 0.73894 0.96913 1.00000
Dy8 Dy 0.49695 0.26106 0.03087 1.00000
Pt1 Pt 0.72509 0.04138 0.89644 1.00000
Pt2 Pt 0.27491 0.95862 0.10356 1.00000
Pt3 Pt 0.77491 0.54138 0.10356 1.00000
Pt4 Pt 0.27491 0.45862 0.39644 1.00000
Pt5 Pt 0.22509 0.45862 0.89644 1.00000
Pt6 Pt 0.72509 0.54138 0.60356 1.00000
Pt7 Pt 0.22509 0.95862 0.60356 1.00000
Pt8 Pt 0.77491 0.04138 0.39644 1.00000
