Y12PuTh5
Alexandria ALEXAlex-ID: agm006059636 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_38_spg12
Y Pu Y2Th
2023-08-11 00:58:53.138048
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006059636).
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 agm006059636
data_agm006059636
_cell_length_a 6.20167
_cell_length_b 6.19900
_cell_length_c 17.38962
_cell_angle_alpha 93.42289
_cell_angle_beta 96.85468
_cell_angle_gamma 59.98577
_cell_volume 574.74254
_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
Y1 Y 0.77835 0.00000 0.33702 1.00000
Y2 Y 0.22165 0.00000 0.66298 1.00000
Y3 Y 0.61365 0.00000 0.83539 1.00000
Y4 Y 0.38636 1.00000 0.16461 1.00000
Y5 Y 0.27724 0.66833 0.83538 1.00000
Y6 Y 0.05443 0.66833 0.16462 1.00000
Y7 Y 0.94557 0.33167 0.83538 1.00000
Y8 Y 0.72276 0.33167 0.16462 1.00000
Y9 Y 0.55479 0.33346 0.66321 1.00000
Y10 Y 0.88825 0.66654 0.66321 1.00000
Y11 Y 0.11175 0.33346 0.33679 1.00000
Y12 Y 0.44521 0.66654 0.33679 1.00000
Pu1 Pu 0.00001 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.00001 0.50000 1.00000
Th2 Th 0.16679 0.66643 0.50000 1.00000
Th3 Th 0.83321 0.33359 0.50000 1.00000
Th4 Th 0.66670 0.66665 1.00000 1.00000
Th5 Th 0.33333 0.33335 0.00000 1.00000
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