PaH8Rh2Au
Alexandria ALEXAlex-ID: agm007183441 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_210_spg2
PaH4 H6Au PaHRh3
2024-01-28 17:20:29.248003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007183441).
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 agm007183441
data_agm007183441
_cell_length_a 6.57863
_cell_length_b 6.57863
_cell_length_c 6.57863
_cell_angle_alpha 40.56321
_cell_angle_beta 40.56321
_cell_angle_gamma 40.56321
_cell_volume 108.59936
_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
H1 H 0.83358 0.83358 0.83358 1.00000
H2 H 0.36911 0.10774 0.70684 1.00000
H3 H 0.16642 0.16642 0.16642 1.00000
H4 H 0.10774 0.70684 0.36911 1.00000
H5 H 0.89226 0.29316 0.63089 1.00000
H6 H 0.70684 0.36911 0.10774 1.00000
H7 H 0.29316 0.63089 0.89226 1.00000
H8 H 0.63089 0.89226 0.29316 1.00000
Rh1 Rh 0.74353 0.74353 0.74353 1.00000
Rh2 Rh 0.25647 0.25647 0.25647 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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