PrAl4H8Rh
Alexandria ALEXAlex-ID: agm007015629 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_563_spg1
Al5Rh2 AlH3 PrAlH6 AlRh
2024-03-26 07:49:39.321225
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007015629).
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 agm007015629
data_agm007015629
_cell_length_a 4.46728
_cell_length_b 4.61206
_cell_length_c 8.46166
_cell_angle_alpha 104.03590
_cell_angle_beta 100.26301
_cell_angle_gamma 89.00260
_cell_volume 166.36664
_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
Pr1 Pr 0.79677 0.24590 0.47851 1.00000
Al1 Al 0.33824 0.78218 0.64817 1.00000
Al2 Al 0.89715 0.94244 0.81136 1.00000
Al3 Al 0.16607 0.55029 0.22689 1.00000
Al4 Al 0.46324 0.95286 0.00874 1.00000
H1 H 0.88901 0.28120 0.76056 1.00000
H2 H 0.76574 0.72536 0.12235 1.00000
H3 H 0.23506 0.07599 0.31011 1.00000
H4 H 0.74863 0.27515 0.16354 1.00000
H5 H 0.00162 0.64113 0.40417 1.00000
H6 H 0.33536 0.41806 0.57436 1.00000
H7 H 0.52400 0.58634 0.33827 1.00000
H8 H 0.33252 0.01680 0.52918 1.00000
Rh1 Rh 0.00658 0.00631 0.12380 1.00000
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