Hf2Nb7
Alexandria ALEXAlex-ID: agm007806953 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_2_spg162
HfNb17 Hf
2024-10-22 10:43:42.313346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007806953).
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 agm007806953
data_agm007806953
_cell_length_a 8.66241
_cell_length_b 7.44238
_cell_length_c 5.58745
_cell_angle_alpha 82.00235
_cell_angle_beta 58.29906
_cell_angle_gamma 39.69859
_cell_volume 170.87140
_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 0.65932 0.34068 0.65932 1.00000
Hf2 Hf 0.34068 0.65932 0.34068 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.67445 0.67445 0.32555 1.00000
Nb3 Nb 0.33439 0.00286 0.99714 1.00000
Nb4 Nb 0.00286 0.33439 0.66561 1.00000
Nb5 Nb 0.66561 0.99714 0.00286 1.00000
Nb6 Nb 0.32555 0.32555 0.67445 1.00000
Nb7 Nb 0.99714 0.66561 0.33439 1.00000
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