Te2OsO6
Alexandria ALEXAlex-ID: agm097955829 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2967_spg2
OsO2 TeO2
2025-04-08 14:04:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097955829).
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 agm097955829
data_agm097955829
_cell_length_a 3.86716
_cell_length_b 3.75547
_cell_length_c 9.72487
_cell_angle_alpha 87.34908
_cell_angle_beta 106.66901
_cell_angle_gamma 89.55882
_cell_volume 135.12208
_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
Te1 Te 0.14165 0.48755 0.08972 1.00000
Te2 Te 0.07330 0.19270 0.40824 1.00000
Os1 Os 0.50298 0.53071 0.74344 1.00000
O1 O 0.64377 0.50768 0.95640 1.00000
O2 O 0.35045 0.57125 0.52261 1.00000
O3 O 0.49849 0.03146 0.73841 1.00000
O4 O 0.41277 0.10866 0.30581 1.00000
O5 O 0.00376 0.52734 0.74577 1.00000
O6 O 0.87282 0.54264 0.23961 1.00000
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