InPt2
Alexandria ALEXAlex-ID: agm005471612 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
In2Pt3 InPt3
2023-03-21 06:31:58.623038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005471612).
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 agm005471612
data_agm005471612
_cell_length_a 5.42953
_cell_length_b 5.42953
_cell_length_c 7.01662
_cell_angle_alpha 71.61545
_cell_angle_beta 71.61545
_cell_angle_gamma 31.85638
_cell_volume 103.13394
_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 0.97034 0.97034 0.78266 1.00000
In2 In 0.02966 0.02966 0.21734 1.00000
Pt1 Pt 0.35397 0.35397 0.53623 1.00000
Pt2 Pt 0.67669 0.67669 0.87500 1.00000
Pt3 Pt 0.32331 0.32331 0.12500 1.00000
Pt4 Pt 0.64603 0.64603 0.46377 1.00000
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