Pu3(GeIr)4
Alexandria ALEXAlex-ID: agm009651291 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
PuGeIr Pu(GeIr)2
2025-02-26 11:03:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009651291).
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 agm009651291
data_agm009651291
_cell_length_a 4.00442
_cell_length_b 4.21589
_cell_length_c 13.02228
_cell_angle_alpha 99.33815
_cell_angle_beta 98.87127
_cell_angle_gamma 89.99908
_cell_volume 214.26530
_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 0.14148 0.64225 0.28397 1.00000
Pu2 Pu 0.85852 0.35775 0.71603 1.00000
Pu3 Pu 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.69489 0.19529 0.39040 1.00000
Ge2 Ge 0.54733 0.54795 0.09641 1.00000
Ge3 Ge 0.45267 0.45205 0.90359 1.00000
Ge4 Ge 0.30511 0.80471 0.60960 1.00000
Ir1 Ir 0.74897 0.74898 0.49783 1.00000
Ir2 Ir 0.40144 0.90196 0.80390 1.00000
Ir3 Ir 0.59856 0.09804 0.19610 1.00000
Ir4 Ir 0.25103 0.25102 0.50217 1.00000
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