PuGeO4
Alexandria ALEXAlex-ID: agm002173271 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
GeO2 PuO2
2018-06-15 19:39:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173271).
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
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# CIF generated by HEAS from Alexandria entry agm002173271
data_agm002173271
_cell_length_a 5.11047
_cell_length_b 5.11043
_cell_length_c 6.61828
_cell_angle_alpha 112.71434
_cell_angle_beta 112.71079
_cell_angle_gamma 89.99861
_cell_volume 144.80547
_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
Ge1 Ge 0.87498 0.62503 0.75000 1.00000
Ge2 Ge 0.12502 0.37497 0.25000 1.00000
O1 O 0.95230 0.28659 0.58350 1.00000
O2 O 0.29692 0.45230 0.08351 1.00000
O3 O 0.78663 0.13116 0.08350 1.00000
O4 O 0.63117 0.79691 0.58349 1.00000
O5 O 0.36883 0.20309 0.41651 1.00000
O6 O 0.21337 0.86884 0.91650 1.00000
O7 O 0.70308 0.54770 0.91649 1.00000
O8 O 0.04770 0.71341 0.41650 1.00000
Pu1 Pu 0.37498 0.12500 0.75000 1.00000
Pu2 Pu 0.62502 0.87500 0.25000 1.00000
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