SrPu2TeO8
Alexandria ALEXAlex-ID: agm004900977 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
SrTeO4 PuO2
2023-01-07 13:06:18.824580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900977).
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 agm004900977
data_agm004900977
_cell_length_a 5.13348
_cell_length_b 5.13213
_cell_length_c 7.02974
_cell_angle_alpha 89.99946
_cell_angle_beta 90.00057
_cell_angle_gamma 88.18246
_cell_volume 185.10988
_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
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.50000 0.50000 0.75284 1.00000
Pu2 Pu 0.50000 0.50000 0.24716 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
O1 O 0.20632 0.79317 0.22116 1.00000
O2 O 0.69349 0.69381 1.00000 1.00000
O3 O 0.79362 0.20678 0.22115 1.00000
O4 O 0.79368 0.20683 0.77884 1.00000
O5 O 0.30651 0.30619 0.00000 1.00000
O6 O 0.20638 0.79322 0.77885 1.00000
O7 O 0.66756 0.66832 0.50000 1.00000
O8 O 0.33244 0.33168 0.50000 1.00000
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