BaHoMgNbO6
Alexandria ALEXAlex-ID: agm002174863 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE6_3_spg8
Ba3MgNb2O9 HoNbO4 MgO Ho2O3
2023-03-26 13:29:09.912463
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002174863).
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 agm002174863
data_agm002174863
_cell_length_a 5.70379
_cell_length_b 5.68729
_cell_length_c 5.73328
_cell_angle_alpha 88.99677
_cell_angle_beta 120.11953
_cell_angle_gamma 120.00938
_cell_volume 132.36559
_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
Mg1 Mg 0.00969 0.00634 0.00409 1.00000
Nb1 Nb 0.00144 0.49926 0.50163 1.00000
Ho1 Ho 0.56725 0.78343 0.28586 1.00000
O1 O 0.95871 0.76721 0.68490 1.00000
O2 O 0.88690 0.19793 0.68231 1.00000
O3 O 0.51090 0.34931 0.22164 1.00000
O4 O 0.47030 0.71020 0.82821 1.00000
O5 O 0.13571 0.74330 0.26539 1.00000
O6 O 0.95323 0.18904 0.26867 1.00000
Ba1 Ba 0.50587 0.25397 0.75731 1.00000
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