Sm2Zn3Pt5
Alexandria ALEXAlex-ID: agm003345802 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
SmZnPt2 ZnPt
2022-02-02 14:57:26.958317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345802).
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 agm003345802
data_agm003345802
_cell_length_a 5.74325
_cell_length_b 8.59316
_cell_length_c 8.59316
_cell_angle_alpha 83.66846
_cell_angle_beta 70.47758
_cell_angle_gamma 70.47758
_cell_volume 376.73454
_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 0.12708 0.60459 0.14125 1.00000
Sm2 Sm 0.62708 0.14125 0.60459 1.00000
Sm3 Sm 0.87292 0.39541 0.85875 1.00000
Sm4 Sm 0.37292 0.85875 0.39541 1.00000
Zn1 Zn 0.36545 0.51224 0.75686 1.00000
Zn2 Zn 0.86545 0.75686 0.51224 1.00000
Zn3 Zn 0.63455 0.48776 0.24314 1.00000
Zn4 Zn 0.13455 0.24314 0.48776 1.00000
Zn5 Zn 0.25000 0.00000 0.00000 1.00000
Zn6 Zn 0.75000 0.00000 0.00000 1.00000
Pt1 Pt 0.39050 0.27355 0.94545 1.00000
Pt2 Pt 0.89050 0.94545 0.27355 1.00000
Pt3 Pt 0.60950 0.72645 0.05455 1.00000
Pt4 Pt 0.10950 0.05455 0.72645 1.00000
Pt5 Pt 0.48104 0.76896 0.76896 1.00000
Pt6 Pt 0.51896 0.23104 0.23104 1.00000
Pt7 Pt 0.75000 0.50000 0.50000 1.00000
Pt8 Pt 0.25000 0.50000 0.50000 1.00000
Pt9 Pt 0.01896 0.23104 0.23104 1.00000
Pt10 Pt 0.98104 0.76896 0.76896 1.00000
