HfNb11
Alexandria ALEXAlex-ID: agm063482704 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_33_spg5
HfNb17 Hf
2024-10-22 10:29:27.709771
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063482704).
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 agm063482704
data_agm063482704
_cell_length_a 8.12484
_cell_length_b 8.12484
_cell_length_c 8.12484
_cell_angle_alpha 146.05414
_cell_angle_beta 131.61620
_cell_angle_gamma 60.41573
_cell_volume 221.79425
_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
Hf1 Hf 0.50000 0.00000 0.50000 1.00000
Nb1 Nb 0.41634 0.17081 0.24553 1.00000
Nb2 Nb 0.92528 0.17081 0.75447 1.00000
Nb3 Nb 0.23909 0.50000 0.73909 1.00000
Nb4 Nb 0.76091 0.50000 0.26091 1.00000
Nb5 Nb 0.07472 0.82919 0.24553 1.00000
Nb6 Nb 0.58366 0.82919 0.75447 1.00000
Nb7 Nb 0.33645 0.33645 0.00000 1.00000
Nb8 Nb 0.16801 0.66801 0.50000 1.00000
Nb9 Nb 0.00000 0.00000 0.00000 1.00000
Nb10 Nb 0.83199 0.33199 0.50000 1.00000
Nb11 Nb 0.66355 0.66355 0.00000 1.00000
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