Pu5In3Cu3Ge4
Alexandria ALEXAlex-ID: agm016645263 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4D5_1_spg59
PuCuGe PuIn3 PuGe
2025-01-30 11:05:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016645263).
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 agm016645263
data_agm016645263
_cell_length_a 4.32833
_cell_length_b 7.38993
_cell_length_c 19.82447
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 634.10714
_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 0.50000 0.98259 0.63257 1.00000
Pu2 Pu 0.00000 0.49851 0.81288 1.00000
Pu3 Pu 0.50000 0.50149 0.68712 1.00000
Pu4 Pu 0.00000 0.39218 0.00000 1.00000
Pu5 Pu 0.50000 0.60782 0.50000 1.00000
Pu6 Pu 0.50000 0.50149 0.31288 1.00000
Pu7 Pu 0.00000 0.01741 0.86743 1.00000
Pu8 Pu 0.50000 0.98259 0.36743 1.00000
Pu9 Pu 0.00000 0.49851 0.18712 1.00000
Pu10 Pu 0.00000 0.01741 0.13257 1.00000
In1 In 0.00000 0.31564 0.57783 1.00000
In2 In 0.00000 0.31564 0.42217 1.00000
In3 In 0.50000 0.04705 0.00000 1.00000
In4 In 0.00000 0.95295 0.50000 1.00000
In5 In 0.50000 0.68436 0.92217 1.00000
In6 In 0.50000 0.68436 0.07783 1.00000
Cu1 Cu 0.50000 0.16691 0.77597 1.00000
Cu2 Cu 0.00000 0.83309 0.72403 1.00000
Cu3 Cu 0.00000 0.80618 0.00000 1.00000
Cu4 Cu 0.50000 0.16691 0.22403 1.00000
Cu5 Cu 0.50000 0.19382 0.50000 1.00000
Cu6 Cu 0.00000 0.83309 0.27597 1.00000
Ge1 Ge 0.00000 0.69852 0.60840 1.00000
Ge2 Ge 0.00000 0.18755 0.28717 1.00000
Ge3 Ge 0.50000 0.81245 0.21283 1.00000
Ge4 Ge 0.50000 0.30148 0.10840 1.00000
Ge5 Ge 0.50000 0.30148 0.89160 1.00000
Ge6 Ge 0.50000 0.81245 0.78717 1.00000
Ge7 Ge 0.00000 0.18755 0.71283 1.00000
Ge8 Ge 0.00000 0.69852 0.39160 1.00000
