InH6PdPt
Alexandria ALEXAlex-ID: agm007665283 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_140_spg1
InHPd3 H10Pt InPt H2
2025-05-27 20:13:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665283).
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 agm007665283
data_agm007665283
_cell_length_a 4.77333
_cell_length_b 4.77382
_cell_length_c 5.11577
_cell_angle_alpha 70.40977
_cell_angle_beta 69.64581
_cell_angle_gamma 66.36664
_cell_volume 97.48983
_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 0.12010 0.90059 0.01344 1.00000
H1 H 0.42467 0.49383 0.73306 1.00000
H2 H 0.38057 0.03363 0.34114 1.00000
H3 H 0.93104 0.61984 0.66358 1.00000
H4 H 0.55903 0.57652 0.24081 1.00000
H5 H 0.96562 0.35278 0.41427 1.00000
H6 H 0.64632 0.00248 0.59405 1.00000
Pd1 Pd 0.29339 0.31830 0.55206 1.00000
Pt1 Pt 0.67906 0.70198 0.44767 1.00000
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