Tb3NdV4O12
Alexandria ALEXAlex-ID: agm011674355 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_7_spg6
TbVO3 NdVO3
2024-04-23 02:03:06.722731
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011674355).
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 agm011674355
data_agm011674355
_cell_length_a 7.69848
_cell_length_b 5.38149
_cell_length_c 5.77081
_cell_angle_alpha 89.94818
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 239.08043
_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 0.98022 0.06845 1.00000
Tb2 Tb 0.50000 0.48068 0.42911 1.00000
Tb3 Tb 0.50000 0.01891 0.93247 1.00000
Nd1 Nd 0.00000 0.51775 0.56429 1.00000
V1 V 0.25263 0.99934 0.49994 1.00000
V2 V 0.74820 0.50098 0.99971 1.00000
V3 V 0.74737 0.99934 0.49994 1.00000
V4 V 0.25180 0.50098 0.99971 1.00000
O1 O 0.30983 0.19898 0.19131 1.00000
O2 O 0.69147 0.30295 0.68937 1.00000
O3 O 0.80497 0.80692 0.81326 1.00000
O4 O 0.19897 0.70043 0.30406 1.00000
O5 O 0.19503 0.80692 0.81326 1.00000
O6 O 0.80103 0.70043 0.30406 1.00000
O7 O 0.69017 0.19898 0.19131 1.00000
O8 O 0.30853 0.30295 0.68937 1.00000
O9 O 0.00000 0.38557 0.96591 1.00000
O10 O 0.00000 0.09933 0.45561 1.00000
O11 O 0.50000 0.61514 0.04261 1.00000
O12 O 0.50000 0.88320 0.54625 1.00000
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