Pr4Si5Rh9
Alexandria ALEXAlex-ID: agm008564470 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C9_1_spg194
PrSiRh2 PrSi2Rh3
2024-10-26 03:56:15.561512
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008564470).
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 agm008564470
data_agm008564470
_cell_length_a 5.62842
_cell_length_b 5.62842
_cell_length_c 22.72404
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 623.43238
_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 0.33333 0.66667 0.52784 1.00000
Pr2 Pr 0.66667 0.33333 0.47216 1.00000
Pr3 Pr 0.66667 0.33333 0.02784 1.00000
Pr4 Pr 0.33333 0.66667 0.97216 1.00000
Pr5 Pr 0.33333 0.66667 0.67260 1.00000
Pr6 Pr 0.66667 0.33333 0.32740 1.00000
Pr7 Pr 0.66667 0.33333 0.17260 1.00000
Pr8 Pr 0.33333 0.66667 0.82740 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Si2 Si 0.00000 0.00000 0.50000 1.00000
Si3 Si 0.33333 0.66667 0.16781 1.00000
Si4 Si 0.66667 0.33333 0.83219 1.00000
Si5 Si 0.66667 0.33333 0.66781 1.00000
Si6 Si 0.33333 0.66667 0.33219 1.00000
Si7 Si 0.00000 0.00000 0.16907 1.00000
Si8 Si 0.00000 0.00000 0.83093 1.00000
Si9 Si 0.00000 0.00000 0.66907 1.00000
Si10 Si 0.00000 0.00000 0.33093 1.00000
Rh1 Rh 0.16571 0.33142 0.08937 1.00000
Rh2 Rh 0.83429 0.66858 0.91063 1.00000
Rh3 Rh 0.66858 0.83429 0.08937 1.00000
Rh4 Rh 0.83429 0.66858 0.58937 1.00000
Rh5 Rh 0.33142 0.16571 0.91063 1.00000
Rh6 Rh 0.16571 0.33142 0.41063 1.00000
Rh7 Rh 0.16571 0.83429 0.08937 1.00000
Rh8 Rh 0.33142 0.16571 0.58937 1.00000
Rh9 Rh 0.83429 0.16571 0.91063 1.00000
Rh10 Rh 0.66858 0.83429 0.41063 1.00000
Rh11 Rh 0.83429 0.16571 0.58937 1.00000
Rh12 Rh 0.16571 0.83429 0.41063 1.00000
Rh13 Rh 0.16726 0.33452 0.25000 1.00000
Rh14 Rh 0.83274 0.66548 0.75000 1.00000
Rh15 Rh 0.66548 0.83274 0.25000 1.00000
Rh16 Rh 0.33452 0.16726 0.75000 1.00000
Rh17 Rh 0.16726 0.83274 0.25000 1.00000
Rh18 Rh 0.83274 0.16726 0.75000 1.00000
