AlGaH6Pt
Alexandria ALEXAlex-ID: agm007664876 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_125_spg5
GaH9 Ga2Pt Al3Pt2 H2
2024-02-09 07:18:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007664876).
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 agm007664876
data_agm007664876
_cell_length_a 4.32678
_cell_length_b 5.32808
_cell_length_c 6.63330
_cell_angle_alpha 125.07281
_cell_angle_beta 125.00845
_cell_angle_gamma 85.67190
_cell_volume 94.85351
_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 0.54333 0.06208 0.37891 1.00000
Ga1 Ga 0.93709 0.68600 0.76775 1.00000
H1 H 0.99430 0.55601 0.45198 1.00000
H2 H 0.43769 0.24764 0.66404 1.00000
H3 H 0.75559 0.77884 0.20984 1.00000
H4 H 0.67627 0.99034 0.87297 1.00000
H5 H 0.14585 0.14183 0.81077 1.00000
H6 H 0.29450 0.64184 0.29414 1.00000
Pt1 Pt 0.21534 0.89557 0.54951 1.00000
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