Zn3IrPt5
Alexandria ALEXAlex-ID: agm072828652 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_334_spg8
Zn3Pt5 Ir
2024-09-24 23:56:00.476468
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072828652).
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
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# CIF generated by HEAS from Alexandria entry agm072828652
data_agm072828652
_cell_length_a 4.79268
_cell_length_b 4.79268
_cell_length_c 6.94742
_cell_angle_alpha 83.94759
_cell_angle_beta 83.94759
_cell_angle_gamma 119.98312
_cell_volume 135.11805
_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 0.66385 0.99939 0.56768 1.00000
Zn2 Zn 0.99939 0.66385 0.56768 1.00000
Zn3 Zn 0.14045 0.14045 0.21871 1.00000
Ir1 Ir 0.89147 0.89147 0.88965 1.00000
Pt1 Pt 0.31596 0.31596 0.55314 1.00000
Pt2 Pt 0.81252 0.47777 0.24053 1.00000
Pt3 Pt 0.22694 0.55917 0.89328 1.00000
Pt4 Pt 0.47777 0.81252 0.24053 1.00000
Pt5 Pt 0.55917 0.22694 0.89328 1.00000
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