AlIn(H4Pt)2
Alexandria ALEXAlex-ID: agm007307366 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1161_spg5
AlPt H2 InPt
2024-02-09 02:20:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307366).
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 agm007307366
data_agm007307366
_cell_length_a 4.64779
_cell_length_b 4.51889
_cell_length_c 7.35238
_cell_angle_alpha 97.20349
_cell_angle_beta 107.94930
_cell_angle_gamma 117.97901
_cell_volume 122.85390
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.00000 0.50000 1.00000
H1 H 0.93923 0.06293 0.23670 1.00000
H2 H 0.65177 0.40357 0.08525 1.00000
H3 H 0.28434 0.82440 0.10761 1.00000
H4 H 0.06077 0.93707 0.76330 1.00000
H5 H 0.34823 0.59643 0.91475 1.00000
H6 H 0.71566 0.17560 0.89239 1.00000
H7 H 0.23923 0.43630 0.62397 1.00000
H8 H 0.76077 0.56370 0.37603 1.00000
Pt1 Pt 0.45342 0.33589 0.80195 1.00000
Pt2 Pt 0.54658 0.66411 0.19805 1.00000
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