Pr5Ge5Ir2
Alexandria ALEXAlex-ID: agm005665192 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
Pr2Ge2Ir PrGe
2023-06-19 00:10:38.032820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665192).
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 agm005665192
data_agm005665192
_cell_length_a 4.31559
_cell_length_b 8.02665
_cell_length_c 9.09185
_cell_angle_alpha 87.18879
_cell_angle_beta 76.27082
_cell_angle_gamma 74.40541
_cell_volume 294.64192
_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 0.50000 0.50000 1.00000
Pr2 Pr 0.69134 0.69506 0.92226 1.00000
Pr3 Pr 0.37432 0.92275 0.32860 1.00000
Pr4 Pr 0.62568 0.07725 0.67140 1.00000
Pr5 Pr 0.30866 0.30494 0.07774 1.00000
Ge1 Ge 0.71712 0.22677 0.33900 1.00000
Ge2 Ge 0.94529 0.30434 0.80508 1.00000
Ge3 Ge 0.05471 0.69566 0.19492 1.00000
Ge4 Ge 0.28288 0.77323 0.66100 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.38214 0.47074 0.76497 1.00000
Ir2 Ir 0.61786 0.52926 0.23503 1.00000
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