Sr3TbZr2Ti2O12
Alexandria ALEXAlex-ID: agm010820439 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
Tb4Zr3O12 SrZrO3 SrTiO3 Tb2O3 TiO
2024-04-23 01:50:34.622933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010820439).
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 agm010820439
data_agm010820439
_cell_length_a 5.65554
_cell_length_b 5.75588
_cell_length_c 8.05919
_cell_angle_alpha 90.18292
_cell_angle_beta 90.21905
_cell_angle_gamma 90.14097
_cell_volume 262.34363
_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 0.48919 0.46268 0.24997 1.00000
Sr2 Sr 0.00516 0.97308 0.25012 1.00000
Sr3 Sr 0.50560 0.53361 0.74931 1.00000
Tb1 Tb 0.98870 0.05931 0.75186 1.00000
Zr1 Zr 0.00074 0.50666 0.49977 1.00000
Zr2 Zr 0.49815 0.99635 0.99922 1.00000
Ti1 Ti 0.00425 0.50183 0.99799 1.00000
Ti2 Ti 0.49468 0.99991 0.50249 1.00000
O1 O 0.71747 0.26967 0.54524 1.00000
O2 O 0.80804 0.79353 0.94463 1.00000
O3 O 0.28642 0.69914 0.03127 1.00000
O4 O 0.22052 0.20884 0.46962 1.00000
O5 O 0.30069 0.71661 0.46670 1.00000
O6 O 0.20417 0.21641 0.03067 1.00000
O7 O 0.72917 0.28102 0.95492 1.00000
O8 O 0.79389 0.80567 0.55644 1.00000
O9 O 0.56212 0.00930 0.25758 1.00000
O10 O 0.93005 0.52049 0.24191 1.00000
O11 O 0.39201 0.98617 0.74465 1.00000
O12 O 0.06899 0.45974 0.75562 1.00000
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