Zn3Si3Pt2
Alexandria ALEXAlex-ID: agm009669331 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_64_spg63
ZnSi5Pt3 Zn11Pt2 Si
2024-03-21 17:58:50.733243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009669331).
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 agm009669331
data_agm009669331
_cell_length_a 4.84451
_cell_length_b 4.84451
_cell_length_c 15.21214
_cell_angle_alpha 89.99246
_cell_angle_beta 89.99246
_cell_angle_gamma 45.86872
_cell_volume 256.24841
_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
Zn1 Zn 0.92577 0.92577 0.14219 1.00000
Zn2 Zn 0.07425 0.07425 0.64213 1.00000
Zn3 Zn 0.92575 0.92575 0.35787 1.00000
Zn4 Zn 0.07423 0.07423 0.85781 1.00000
Zn5 Zn 0.62618 0.62618 0.25016 1.00000
Zn6 Zn 0.37382 0.37382 0.74984 1.00000
Si1 Si 0.62853 0.62853 0.02169 1.00000
Si2 Si 0.37145 0.37145 0.52164 1.00000
Si3 Si 0.62855 0.62855 0.47836 1.00000
Si4 Si 0.37147 0.37147 0.97831 1.00000
Si5 Si 0.34487 0.34487 0.24999 1.00000
Si6 Si 0.65513 0.65513 0.75001 1.00000
Pt1 Pt 0.79062 0.79062 0.60975 1.00000
Pt2 Pt 0.20939 0.20939 0.10976 1.00000
Pt3 Pt 0.79061 0.79061 0.89024 1.00000
Pt4 Pt 0.20938 0.20938 0.39025 1.00000
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