Tb2TaGaO6
Alexandria ALEXAlex-ID: agm002231925 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
Tb3TaO7 Tb3Ga5O12 TbTaO4 Ga
2018-11-24 16:34:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002231925).
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 agm002231925
data_agm002231925
_cell_length_a 5.50441
_cell_length_b 5.88900
_cell_length_c 5.21183
_cell_angle_alpha 120.95077
_cell_angle_beta 113.35184
_cell_angle_gamma 95.13700
_cell_volume 123.43978
_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 0.26788 0.73303 0.52359 1.00000
Tb2 Tb 0.73245 0.26734 0.47677 1.00000
O1 O 0.68185 0.83410 0.01914 1.00000
O2 O 0.23513 0.76484 0.10407 1.00000
O3 O 0.76426 0.23457 0.89534 1.00000
O4 O 0.31817 0.16605 0.98112 1.00000
O5 O 0.16585 0.31851 0.50303 1.00000
O6 O 0.83426 0.68154 0.49690 1.00000
Ga1 Ga 1.00000 0.00001 0.00001 1.00000
Ta1 Ta 0.50003 0.50005 0.00004 1.00000
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