Ti3(ZnPt2)2
Alexandria ALEXAlex-ID: agm005646240 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_273_spg12
TiZnPt TiZnPt2 TiPt
2023-06-29 04:52:41.203906
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646240).
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 agm005646240
data_agm005646240
_cell_length_a 4.56412
_cell_length_b 4.49150
_cell_length_c 8.29205
_cell_angle_alpha 99.84159
_cell_angle_beta 90.00132
_cell_angle_gamma 120.53590
_cell_volume 143.49762
_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
Ti1 Ti 0.63772 0.27543 0.75453 1.00000
Ti2 Ti 0.00000 0.00000 0.00000 1.00000
Ti3 Ti 0.36228 0.72457 0.24547 1.00000
Zn1 Zn 0.71963 0.43925 0.41170 1.00000
Zn2 Zn 0.28037 0.56075 0.58830 1.00000
Pt1 Pt 0.68314 0.36628 0.07841 1.00000
Pt2 Pt 0.31686 0.63372 0.92159 1.00000
Pt3 Pt 0.96467 0.92933 0.68174 1.00000
Pt4 Pt 0.03533 0.07067 0.31826 1.00000
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