InAgPt4
Alexandria ALEXAlex-ID: agm005431685 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_12_spg216
Ag3Pt2 InPt3 Pt
2023-03-18 03:30:28.485991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005431685).
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 agm005431685
data_agm005431685
_cell_length_a 5.34709
_cell_length_b 5.34709
_cell_length_c 5.34709
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 108.10264
_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
In1 In 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.75000 0.75000 0.75000 1.00000
Pt1 Pt 0.87468 0.37511 0.37511 1.00000
Pt2 Pt 0.37511 0.37511 0.87468 1.00000
Pt3 Pt 0.37511 0.87468 0.37511 1.00000
Pt4 Pt 0.37511 0.37511 0.37511 1.00000
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