GaH8Pd2Se
Alexandria ALEXAlex-ID: agm007606149 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2061_spg1
H3Se GaPd2 H2
2024-02-10 17:38:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007606149).
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 agm007606149
data_agm007606149
_cell_length_a 2.77207
_cell_length_b 6.61996
_cell_length_c 8.55288
_cell_angle_alpha 95.00455
_cell_angle_beta 90.76221
_cell_angle_gamma 78.42452
_cell_volume 153.17431
_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 0.83651 0.44669 0.92430 1.00000
H1 H 0.57240 0.96832 0.83656 1.00000
H2 H 0.38877 0.35343 0.50895 1.00000
H3 H 0.80260 0.54174 0.21293 1.00000
H4 H 0.35530 0.41317 0.43323 1.00000
H5 H 0.45782 0.89504 0.45072 1.00000
H6 H 0.99464 0.09528 0.64617 1.00000
H7 H 0.96230 0.20342 0.16762 1.00000
H8 H 0.49842 0.81561 0.38105 1.00000
Pd1 Pd 0.44060 0.21709 0.73599 1.00000
Pd2 Pd 0.38072 0.37460 0.17885 1.00000
Se1 Se 0.64309 0.83803 0.98837 1.00000
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