Pu5Ge5Ir2
Alexandria ALEXAlex-ID: agm005659910 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
PuGe PuGeIr
2023-06-19 06:12:54.877833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659910).
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 agm005659910
data_agm005659910
_cell_length_a 4.45023
_cell_length_b 7.90936
_cell_length_c 7.86659
_cell_angle_alpha 95.36765
_cell_angle_beta 73.56924
_cell_angle_gamma 73.66059
_cell_volume 250.30898
_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
Pu1 Pu 0.00000 0.50000 0.50000 1.00000
Pu2 Pu 0.69450 0.68570 0.92531 1.00000
Pu3 Pu 0.34130 0.98157 0.33583 1.00000
Pu4 Pu 0.65870 0.01843 0.66417 1.00000
Pu5 Pu 0.30550 0.31430 0.07469 1.00000
Ge1 Ge 0.70193 0.24813 0.34802 1.00000
Ge2 Ge 0.97926 0.26698 0.77449 1.00000
Ge3 Ge 0.02074 0.73302 0.22551 1.00000
Ge4 Ge 0.29807 0.75187 0.65198 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.40782 0.43796 0.74640 1.00000
Ir2 Ir 0.59218 0.56204 0.25360 1.00000
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