TbAgO3
Alexandria ALEXAlex-ID: agm002170691 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_29_spg167
AgO TbO2
2018-06-07 21:23:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002170691).
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 agm002170691
data_agm002170691
_cell_length_a 5.98290
_cell_length_b 5.98290
_cell_length_c 5.98288
_cell_angle_alpha 56.55350
_cell_angle_beta 56.55350
_cell_angle_gamma 56.55331
_cell_volume 139.37187
_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
Tb1 Tb 0.28659 0.28659 0.28659 1.00000
Tb2 Tb 0.78659 0.78659 0.78659 1.00000
O1 O 0.20616 0.87149 0.62204 1.00000
O2 O 0.37149 0.70616 0.12204 1.00000
O3 O 0.12204 0.37149 0.70616 1.00000
O4 O 0.87149 0.62204 0.20616 1.00000
O5 O 0.62204 0.20616 0.87149 1.00000
O6 O 0.70616 0.12204 0.37149 1.00000
Ag1 Ag 0.99544 0.99544 0.99544 1.00000
Ag2 Ag 0.49544 0.49544 0.49544 1.00000
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