Pu4ReGe3
Alexandria ALEXAlex-ID: agm013974797 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_157_spg140
Pu5Ge3 Re PuGe
2024-09-26 07:08:01.366485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013974797).
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 agm013974797
data_agm013974797
_cell_length_a 8.34984
_cell_length_b 8.34984
_cell_length_c 8.34984
_cell_angle_alpha 95.90524
_cell_angle_beta 95.90524
_cell_angle_gamma 142.58288
_cell_volume 335.03206
_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 0.27107 0.41196 0.68303 1.00000
Pu2 Pu 0.72893 0.58804 0.31697 1.00000
Pu3 Pu 0.41196 0.72893 0.14089 1.00000
Pu4 Pu 0.77107 0.08804 0.85911 1.00000
Pu5 Pu 0.58804 0.27107 0.85911 1.00000
Pu6 Pu 0.22893 0.91196 0.14089 1.00000
Pu7 Pu 0.91196 0.77107 0.68303 1.00000
Pu8 Pu 0.08804 0.22893 0.31697 1.00000
Re1 Re 0.75000 0.25000 0.50000 1.00000
Re2 Re 0.25000 0.75000 0.50000 1.00000
Ge1 Ge 0.25000 0.25000 0.00000 1.00000
Ge2 Ge 0.75000 0.75000 0.00000 1.00000
Ge3 Ge 0.85438 0.35438 0.20875 1.00000
Ge4 Ge 0.14562 0.64562 0.79125 1.00000
Ge5 Ge 0.35438 0.14562 0.50000 1.00000
Ge6 Ge 0.64562 0.85438 0.50000 1.00000
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