TbAgO3
Alexandria ALEXAlex-ID: agm002170692 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_338_spg65
AgO TbO2
2018-06-07 20:53:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002170692).
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 agm002170692
data_agm002170692
_cell_length_a 3.46207
_cell_length_b 6.70498
_cell_length_c 6.70486
_cell_angle_alpha 77.51311
_cell_angle_beta 89.99769
_cell_angle_gamma 89.99720
_cell_volume 151.95869
_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 0.00000 0.00068 0.50036 1.00000
Tb2 Tb 0.00000 0.50062 0.00029 1.00000
O1 O 0.49997 0.19919 0.53268 1.00000
O2 O 0.50002 0.46826 0.80177 1.00000
O3 O 0.00001 0.87369 0.87337 1.00000
O4 O 0.99999 0.12762 0.12730 1.00000
O5 O 0.50003 0.80224 0.46779 1.00000
O6 O 0.49998 0.53318 0.19870 1.00000
Ag1 Ag 0.50000 0.50073 0.50024 1.00000
Ag2 Ag 0.50000 0.00061 0.00038 1.00000
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