Pa2Ge3Rh4
Alexandria ALEXAlex-ID: agm003333985 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_206_spg64
Pa3(GeRh)4 Pa(GeRh)2 Pa3Ge4Rh7
2022-01-27 04:51:53.902838
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333985).
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 agm003333985
data_agm003333985
_cell_length_a 5.71120
_cell_length_b 7.11568
_cell_length_c 8.24749
_cell_angle_alpha 90.00000
_cell_angle_beta 110.25743
_cell_angle_gamma 90.00000
_cell_volume 314.43914
_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
Pa1 Pa 0.10659 0.59176 0.21319 1.00000
Pa2 Pa 0.89341 0.40824 0.78681 1.00000
Pa3 Pa 0.39341 0.09176 0.78681 1.00000
Pa4 Pa 0.60659 0.90824 0.21319 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.50000 0.50000 0.00000 1.00000
Ge3 Ge 0.51645 0.75000 0.53289 1.00000
Ge4 Ge 0.98355 0.25000 0.46711 1.00000
Ge5 Ge 0.48355 0.25000 0.46711 1.00000
Ge6 Ge 0.01645 0.75000 0.53289 1.00000
Rh1 Rh 0.68107 0.75000 0.86213 1.00000
Rh2 Rh 0.81893 0.25000 0.13787 1.00000
Rh3 Rh 0.31893 0.25000 0.13787 1.00000
Rh4 Rh 0.18107 0.75000 0.86213 1.00000
Rh5 Rh 0.16897 0.96916 0.33794 1.00000
Rh6 Rh 0.83103 0.03084 0.66206 1.00000
Rh7 Rh 0.33103 0.46916 0.66206 1.00000
Rh8 Rh 0.66897 0.53084 0.33794 1.00000
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