PuU6Ga
Alexandria ALEXAlex-ID: agm014777368 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_635_spg15
PuUGa U
2024-10-16 13:58:16.593836
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014777368).
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 agm014777368
data_agm014777368
_cell_length_a 5.80341
_cell_length_b 6.38947
_cell_length_c 10.28856
_cell_angle_alpha 101.83950
_cell_angle_beta 89.58833
_cell_angle_gamma 118.83404
_cell_volume 325.21954
_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 0.70609 0.69366 0.13473 1.00000
Pu2 Pu 0.20669 0.69469 0.63470 1.00000
U1 U 0.61890 0.28450 0.00848 1.00000
U2 U 0.86932 0.25969 0.54175 1.00000
U3 U 0.79213 0.60127 0.34157 1.00000
U4 U 0.05636 0.69413 0.86183 1.00000
U5 U 0.79245 0.10222 0.26118 1.00000
U6 U 0.54286 0.12929 0.72888 1.00000
U7 U 0.20198 0.48662 0.15458 1.00000
U8 U 0.49938 0.52286 0.67414 1.00000
U9 U 0.62018 0.78556 0.92774 1.00000
U10 U 0.35493 0.69323 0.40716 1.00000
U11 U 0.20948 0.89908 0.11466 1.00000
U12 U 0.91243 0.86496 0.59496 1.00000
Ga1 Ga 0.10176 0.22881 0.86060 1.00000
Ga2 Ga 0.30955 0.15887 0.40839 1.00000
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