In2Pt
Alexandria ALEXAlex-ID: agm005448972 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_70_spg71
In2Pt
2023-03-20 21:17:41.020136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005448972).
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 agm005448972
data_agm005448972
_cell_length_a 6.97479
_cell_length_b 6.97479
_cell_length_c 5.61795
_cell_angle_alpha 65.80837
_cell_angle_beta 65.80837
_cell_angle_gamma 31.71208
_cell_volume 129.97327
_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 0.00020 0.00020 0.24326 1.00000
In2 In 0.70719 0.70719 0.79143 1.00000
In3 In 0.29281 0.29281 0.20857 1.00000
In4 In 0.99980 0.99980 0.75674 1.00000
Pt1 Pt 0.37399 0.37399 0.62649 1.00000
Pt2 Pt 0.62601 0.62601 0.37351 1.00000
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