Hf8Nb2Sb
Alexandria ALEXAlex-ID: agm003536166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_279_spg12
HfNb17 Hf3Sb Hf
2022-03-16 00:32:06.781326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003536166).
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 agm003536166
data_agm003536166
_cell_length_a 5.18213
_cell_length_b 7.78294
_cell_length_c 7.78294
_cell_angle_alpha 120.10666
_cell_angle_beta 102.15114
_cell_angle_gamma 102.15114
_cell_volume 246.23398
_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 0.86316 0.89889 0.67042 1.00000
Hf2 Hf 0.86316 0.67042 0.89889 1.00000
Hf3 Hf 0.28948 0.59564 0.59564 1.00000
Hf4 Hf 0.50000 0.78114 0.21886 1.00000
Hf5 Hf 0.50000 0.21886 0.78114 1.00000
Hf6 Hf 0.71052 0.40436 0.40436 1.00000
Hf7 Hf 0.13684 0.32958 0.10111 1.00000
Hf8 Hf 0.13684 0.10111 0.32958 1.00000
Nb1 Nb 0.00000 0.29769 0.70231 1.00000
Nb2 Nb 0.00000 0.70231 0.29769 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
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