Pr6Ag8Rh
Alexandria ALEXAlex-ID: agm072137284 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_68_spg148
PrAg Pr3AgRh2 PrAg2
2024-10-07 09:50:07.425373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072137284).
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 agm072137284
data_agm072137284
_cell_length_a 6.44590
_cell_length_b 8.02178
_cell_length_c 8.77972
_cell_angle_alpha 107.34682
_cell_angle_beta 111.71990
_cell_angle_gamma 103.87314
_cell_volume 369.85984
_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 0.31153 0.12490 0.45280 1.00000
Pr2 Pr 0.73879 0.73793 0.08906 1.00000
Pr3 Pr 0.04873 0.67653 0.79283 1.00000
Pr4 Pr 0.68847 0.87510 0.54720 1.00000
Pr5 Pr 0.26121 0.26207 0.91094 1.00000
Pr6 Pr 0.95127 0.32347 0.20717 1.00000
Ag1 Ag 0.24464 0.65722 0.16355 1.00000
Ag2 Ag 0.75536 0.34278 0.83645 1.00000
Ag3 Ag 0.48316 0.02858 0.16666 1.00000
Ag4 Ag 0.89918 0.25416 0.52946 1.00000
Ag5 Ag 0.42505 0.54976 0.65116 1.00000
Ag6 Ag 0.51684 0.97142 0.83334 1.00000
Ag7 Ag 0.10082 0.74584 0.47054 1.00000
Ag8 Ag 0.57495 0.45024 0.34884 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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