TbNi2BiO6
Alexandria ALEXAlex-ID: agm053172352 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_438_spg1
Tb3BiO7 Ni4Bi2O9 NiO
2025-03-12 09:28:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm053172352).
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 agm053172352
data_agm053172352
_cell_length_a 6.21807
_cell_length_b 6.21807
_cell_length_c 6.21807
_cell_angle_alpha 51.37969
_cell_angle_beta 51.37969
_cell_angle_gamma 51.37969
_cell_volume 135.48847
_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 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.31869 0.31869 0.31869 1.00000
Ni2 Ni 0.68131 0.68131 0.68131 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
O1 O 0.28160 0.90895 0.60168 1.00000
O2 O 0.90895 0.60168 0.28160 1.00000
O3 O 0.60168 0.28160 0.90895 1.00000
O4 O 0.09105 0.39832 0.71840 1.00000
O5 O 0.39832 0.71840 0.09105 1.00000
O6 O 0.71840 0.09105 0.39832 1.00000
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