GaH4Pt
Alexandria ALEXAlex-ID: agm007615025 · Space group: I2_12_12_1 (#24)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_63_spg74
H2 GaPt
2024-02-08 08:08:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615025).
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 agm007615025
data_agm007615025
_cell_length_a 5.91769
_cell_length_b 5.91769
_cell_length_c 5.91769
_cell_angle_alpha 108.09163
_cell_angle_beta 122.69850
_cell_angle_gamma 98.58313
_cell_volume 152.19653
_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
Ga1 Ga 0.25000 0.32495 0.07495 1.00000
Ga2 Ga 0.75000 0.17505 0.42505 1.00000
H1 H 0.51702 0.01674 0.57287 1.00000
H2 H 0.55613 0.48326 0.00028 1.00000
H3 H 0.98298 0.55585 0.49972 1.00000
H4 H 0.11669 0.69474 0.13002 1.00000
H5 H 0.43528 0.80526 0.92194 1.00000
H6 H 0.06472 0.98666 0.36998 1.00000
H7 H 0.38331 0.51334 0.57806 1.00000
H8 H 0.94387 0.94415 0.92713 1.00000
Pt1 Pt 0.25197 0.00197 0.25000 1.00000
Pt2 Pt 0.24803 0.49803 0.75000 1.00000
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