NbNi(PbO3)2
Alexandria ALEXAlex-ID: agm004967945 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_468_spg2
Ni2PbO4 Pb3O4 NiO Nb10Pb14O39
2022-07-30 23:58:06.106387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004967945).
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 agm004967945
data_agm004967945
_cell_length_a 5.70252
_cell_length_b 5.69202
_cell_length_c 5.69298
_cell_angle_alpha 119.69683
_cell_angle_beta 119.92830
_cell_angle_gamma 90.23718
_cell_volume 131.13246
_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
Nb1 Nb 0.50437 0.50456 0.99958 1.00000
Ni1 Ni 0.00053 0.00069 0.00003 1.00000
Pb1 Pb 0.77419 0.25236 0.52055 1.00000
Pb2 Pb 0.23705 0.75105 0.48361 1.00000
O1 O 0.66242 0.74442 0.92068 1.00000
O2 O 0.78529 0.80363 0.49101 1.00000
O3 O 0.35593 0.25752 0.10000 1.00000
O4 O 0.78744 0.29685 0.98546 1.00000
O5 O 0.19697 0.20525 0.50777 1.00000
O6 O 0.19479 0.68762 0.98927 1.00000
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