PmGa2H8Pd
Alexandria ALEXAlex-ID: agm095947427 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
Ga7Pd3 PmH3 GaH9 GaPd
2025-06-11 22:03:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095947427).
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 agm095947427
data_agm095947427
_cell_length_a 3.88215
_cell_length_b 6.33951
_cell_length_c 7.51908
_cell_angle_alpha 53.53448
_cell_angle_beta 58.35403
_cell_angle_gamma 59.02094
_cell_volume 121.00124
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.74222 0.85204 0.72347 1.00000
Ga2 Ga 0.25778 0.14796 0.27653 1.00000
H1 H 0.65794 0.30065 0.00093 1.00000
H2 H 0.34206 0.69935 0.99907 1.00000
H3 H 0.88357 0.41921 0.18002 1.00000
H4 H 0.11643 0.58079 0.81998 1.00000
H5 H 0.18258 0.91955 0.20301 1.00000
H6 H 0.81742 0.08045 0.79699 1.00000
H7 H 0.75620 0.69330 0.58302 1.00000
H8 H 0.24380 0.30670 0.41698 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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