Na2(Zn3Pt2)3
Alexandria ALEXAlex-ID: agm005653901 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C9_10_spg191
Zn12Pt7 Na(ZnPt)2 Na6Zn16Pt7
2023-06-18 20:03:57.603164
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653901).
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 agm005653901
data_agm005653901
_cell_length_a 7.22296
_cell_length_b 7.22296
_cell_length_c 8.59013
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 388.11515
_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
Na1 Na 0.00000 0.00000 0.73806 1.00000
Na2 Na 0.00000 0.00000 0.26194 1.00000
Zn1 Zn 0.50000 0.00000 0.83352 1.00000
Zn2 Zn 0.00000 0.50000 0.83352 1.00000
Zn3 Zn 0.50000 0.50000 0.83352 1.00000
Zn4 Zn 0.50000 0.00000 0.16648 1.00000
Zn5 Zn 0.00000 0.50000 0.16648 1.00000
Zn6 Zn 0.50000 0.50000 0.16648 1.00000
Zn7 Zn 0.50000 0.00000 0.50000 1.00000
Zn8 Zn 0.00000 0.50000 0.50000 1.00000
Zn9 Zn 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.33333 0.66667 0.00000 1.00000
Pt2 Pt 0.66667 0.33333 0.00000 1.00000
Pt3 Pt 0.33333 0.66667 0.66728 1.00000
Pt4 Pt 0.66667 0.33333 0.66728 1.00000
Pt5 Pt 0.66667 0.33333 0.33272 1.00000
Pt6 Pt 0.33333 0.66667 0.33272 1.00000
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