KTbV2O6
Alexandria ALEXAlex-ID: agm004945643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_262_spg15
K3TbV2O8 TbVO3 TbVO4 V2O3
2022-07-30 15:01:50.309752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945643).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004945643
data_agm004945643
_cell_length_a 7.36037
_cell_length_b 7.36037
_cell_length_c 6.05682
_cell_angle_alpha 100.85492
_cell_angle_beta 100.85492
_cell_angle_gamma 86.12099
_cell_volume 316.31446
_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
K1 K 0.18022 0.81978 0.25000 1.00000
K2 K 0.81978 0.18022 0.75000 1.00000
Tb1 Tb 0.59791 0.40209 0.25000 1.00000
Tb2 Tb 0.40209 0.59791 0.75000 1.00000
V1 V 0.30220 0.12314 0.78857 1.00000
V2 V 0.87686 0.69780 0.71143 1.00000
V3 V 0.69780 0.87686 0.21143 1.00000
V4 V 0.12314 0.30220 0.28857 1.00000
O1 O 0.89598 0.38688 0.20638 1.00000
O2 O 0.61312 0.10402 0.29362 1.00000
O3 O 0.10402 0.61312 0.79362 1.00000
O4 O 0.38688 0.89598 0.70638 1.00000
O5 O 0.17413 0.14223 0.02735 1.00000
O6 O 0.85777 0.82587 0.47265 1.00000
O7 O 0.82587 0.85777 0.97265 1.00000
O8 O 0.14223 0.17413 0.52735 1.00000
O9 O 0.31428 0.46309 0.37467 1.00000
O10 O 0.53691 0.68572 0.12533 1.00000
O11 O 0.68572 0.53691 0.62533 1.00000
O12 O 0.46309 0.31428 0.87467 1.00000
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