PrH3Rh2
Alexandria ALEXAlex-ID: agm006459079 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_359_spg14
PrH3Rh Rh
2024-02-27 13:20:06.109937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006459079).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006459079
data_agm006459079
_cell_length_a 9.15446
_cell_length_b 5.29714
_cell_length_c 5.78882
_cell_angle_alpha 78.54152
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 275.11914
_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 0.10628 0.69804 0.20548 1.00000
Pr2 Pr 0.39372 0.69804 0.70548 1.00000
Pr3 Pr 0.60628 0.30196 0.29452 1.00000
Pr4 Pr 0.89372 0.30196 0.79452 1.00000
H1 H 0.61232 0.79010 0.35349 1.00000
H2 H 0.88768 0.79010 0.85349 1.00000
H3 H 0.86847 0.83329 0.36517 1.00000
H4 H 0.63153 0.83329 0.86517 1.00000
H5 H 0.35845 0.52908 0.31510 1.00000
H6 H 0.14155 0.52908 0.81510 1.00000
H7 H 0.85845 0.47092 0.18490 1.00000
H8 H 0.64155 0.47092 0.68490 1.00000
H9 H 0.36847 0.16671 0.13483 1.00000
H10 H 0.13153 0.16671 0.63483 1.00000
H11 H 0.11232 0.20990 0.14651 1.00000
H12 H 0.38768 0.20990 0.64651 1.00000
Rh1 Rh 0.75974 0.80662 0.10140 1.00000
Rh2 Rh 0.74026 0.80662 0.60140 1.00000
Rh3 Rh 0.43937 0.82810 0.18123 1.00000
Rh4 Rh 0.06063 0.82810 0.68123 1.00000
Rh5 Rh 0.93937 0.17190 0.31877 1.00000
Rh6 Rh 0.56063 0.17190 0.81877 1.00000
Rh7 Rh 0.25974 0.19338 0.39860 1.00000
Rh8 Rh 0.24026 0.19338 0.89860 1.00000
