Hf15Nb4
Alexandria ALEXAlex-ID: agm073023767 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
HfNb17 Hf
2024-10-20 09:14:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023767).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm073023767
data_agm073023767
_cell_length_a 10.22148
_cell_length_b 10.22148
_cell_length_c 10.22148
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 822.08968
_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 0.70377 0.05552 0.92885 1.00000
Hf2 Hf 0.75000 0.87500 0.12500 1.00000
Hf3 Hf 0.14825 0.87333 0.44448 1.00000
Hf4 Hf 0.72508 0.35175 0.79623 1.00000
Hf5 Hf 0.57115 0.62667 0.77492 1.00000
Hf6 Hf 0.22507 0.29623 0.85175 1.00000
Hf7 Hf 0.79623 0.72508 0.35175 1.00000
Hf8 Hf 0.37333 0.64825 0.94448 1.00000
Hf9 Hf 0.07115 0.27492 0.12667 1.00000
Hf10 Hf 0.92885 0.70377 0.05552 1.00000
Hf11 Hf 0.44448 0.14825 0.87333 1.00000
Hf12 Hf 0.29623 0.85175 0.22507 1.00000
Hf13 Hf 0.12500 0.75000 0.87500 1.00000
Hf14 Hf 0.35175 0.79623 0.72508 1.00000
Hf15 Hf 0.37500 0.25000 0.62500 1.00000
Hf16 Hf 0.12667 0.07115 0.27492 1.00000
Hf17 Hf 0.94448 0.37333 0.64825 1.00000
Hf18 Hf 0.42885 0.55552 0.20377 1.00000
Hf19 Hf 0.64825 0.94448 0.37333 1.00000
Hf20 Hf 0.62500 0.37500 0.25000 1.00000
Hf21 Hf 0.05552 0.92885 0.70377 1.00000
Hf22 Hf 0.87333 0.44448 0.14825 1.00000
Hf23 Hf 0.85175 0.22507 0.29623 1.00000
Hf24 Hf 0.77492 0.57115 0.62667 1.00000
Hf25 Hf 0.55552 0.20377 0.42885 1.00000
Hf26 Hf 0.62667 0.77492 0.57115 1.00000
Hf27 Hf 0.20377 0.42885 0.55552 1.00000
Hf28 Hf 0.25000 0.62500 0.37500 1.00000
Hf29 Hf 0.27492 0.12667 0.07115 1.00000
Hf30 Hf 0.87500 0.12500 0.75000 1.00000
Nb1 Nb 0.50000 0.00000 0.59582 1.00000
Nb2 Nb 0.00000 0.59582 0.50000 1.00000
Nb3 Nb 0.50000 0.00000 0.09582 1.00000
Nb4 Nb 0.40418 0.40418 0.40418 1.00000
Nb5 Nb 0.90418 0.90418 0.90418 1.00000
Nb6 Nb 0.00000 0.09582 0.50000 1.00000
Nb7 Nb 0.09582 0.50000 0.00000 1.00000
Nb8 Nb 0.59582 0.50000 0.00000 1.00000
