Pr(H2Rh)3
Alexandria ALEXAlex-ID: agm007693420 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_6_spg2
H8Rh3 PrH5Rh Rh
2024-03-15 23:36:17.688974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007693420).
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 agm007693420
data_agm007693420
_cell_length_a 4.75443
_cell_length_b 4.76015
_cell_length_c 5.59722
_cell_angle_alpha 64.75184
_cell_angle_beta 89.76737
_cell_angle_gamma 59.97483
_cell_volume 95.58709
_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 0.50000 0.00000 0.50000 1.00000
H1 H 0.38776 0.67110 0.27001 1.00000
H2 H 0.94044 0.11964 0.26975 1.00000
H3 H 0.05987 0.32991 0.73007 1.00000
H4 H 0.61224 0.32890 0.72999 1.00000
H5 H 0.05956 0.88036 0.73025 1.00000
H6 H 0.94013 0.67009 0.26993 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.70250 0.59471 0.10819 1.00000
Rh3 Rh 0.29750 0.40529 0.89181 1.00000
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