PaGa2H8Rh
Alexandria ALEXAlex-ID: agm007227563 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_292_spg12
Ga17Rh10 PaH4 GaH9 H2
2024-01-28 13:57:00.995038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007227563).
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 agm007227563
data_agm007227563
_cell_length_a 4.13161
_cell_length_b 5.64416
_cell_length_c 7.36643
_cell_angle_alpha 105.55938
_cell_angle_beta 117.03868
_cell_angle_gamma 111.73272
_cell_volume 120.73521
_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
Pa1 Pa 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.43738 0.06715 0.67780 1.00000
Ga2 Ga 0.56262 0.93285 0.32220 1.00000
H1 H 0.06151 0.33674 0.08361 1.00000
H2 H 0.44432 0.74418 0.79303 1.00000
H3 H 0.90875 0.99166 0.21136 1.00000
H4 H 0.93849 0.66326 0.91639 1.00000
H5 H 0.55568 0.25582 0.20697 1.00000
H6 H 0.09125 0.00834 0.78864 1.00000
H7 H 0.97225 0.35103 0.55535 1.00000
H8 H 0.02775 0.64897 0.44465 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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