PrCr(H4Rh)2
Alexandria ALEXAlex-ID: agm007305783 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_188_spg12
CrHRh CrH PrH6Rh H8Rh3
2024-03-16 02:50:29.873992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007305783).
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 agm007305783
data_agm007305783
_cell_length_a 4.14004
_cell_length_b 4.81337
_cell_length_c 6.41415
_cell_angle_alpha 97.84073
_cell_angle_beta 87.70902
_cell_angle_gamma 120.07490
_cell_volume 109.51608
_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 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
H1 H 0.08208 0.75923 0.79583 1.00000
H2 H 0.51529 0.34928 0.10994 1.00000
H3 H 0.73807 0.07157 0.81699 1.00000
H4 H 0.91792 0.24077 0.20417 1.00000
H5 H 0.48471 0.65072 0.89006 1.00000
H6 H 0.26193 0.92843 0.18301 1.00000
H7 H 0.31026 0.64346 0.43104 1.00000
H8 H 0.68974 0.35654 0.56896 1.00000
Rh1 Rh 0.34156 0.61152 0.16887 1.00000
Rh2 Rh 0.65844 0.38848 0.83113 1.00000
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