Ir5Pt2
Alexandria ALEXAlex-ID: agm007807972 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_7_spg139
Pt Ir
2024-03-10 22:58:34.753977
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007807972).
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 agm007807972
data_agm007807972
_cell_length_a 13.86559
_cell_length_b 13.86559
_cell_length_c 13.86559
_cell_angle_alpha 168.60627
_cell_angle_beta 168.60627
_cell_angle_gamma 16.13994
_cell_volume 104.02741
_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
Ir1 Ir 0.13920 0.13920 0.00000 1.00000
Ir2 Ir 0.57084 0.57084 0.00000 1.00000
Ir3 Ir 0.00000 0.00000 0.00000 1.00000
Ir4 Ir 0.42916 0.42916 0.00000 1.00000
Ir5 Ir 0.86080 0.86080 0.00000 1.00000
Pt1 Pt 0.28832 0.28832 0.00000 1.00000
Pt2 Pt 0.71168 0.71168 0.00000 1.00000
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