NbFe6SbH
Alexandria ALEXAlex-ID: agm007010439 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_122_spg74
FeH NbFeSb Fe
2024-07-09 22:47:17.073637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007010439).
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 agm007010439
data_agm007010439
_cell_length_a 7.08479
_cell_length_b 7.08479
_cell_length_c 7.08479
_cell_angle_alpha 130.02975
_cell_angle_beta 119.69813
_cell_angle_gamma 82.03226
_cell_volume 227.70142
_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
Nb1 Nb 0.99916 0.24916 0.75000 1.00000
Nb2 Nb 0.00084 0.75084 0.25000 1.00000
Fe1 Fe 0.72143 0.47143 0.25000 1.00000
Fe2 Fe 0.27550 0.02550 0.25000 1.00000
Fe3 Fe 0.34467 0.64584 0.20676 1.00000
Fe4 Fe 0.93907 0.13790 0.29324 1.00000
Fe5 Fe 0.34467 0.13790 0.69883 1.00000
Fe6 Fe 0.93907 0.64584 0.80117 1.00000
Fe7 Fe 0.27857 0.52857 0.75000 1.00000
Fe8 Fe 0.72450 0.97450 0.75000 1.00000
Fe9 Fe 0.65533 0.35416 0.79324 1.00000
Fe10 Fe 0.06093 0.86210 0.70676 1.00000
Fe11 Fe 0.65533 0.86210 0.30117 1.00000
Fe12 Fe 0.06093 0.35416 0.19883 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Sb2 Sb 0.50000 0.50000 0.50000 1.00000
H1 H 0.00000 0.50000 0.50000 1.00000
H2 H 0.50000 0.50000 0.00000 1.00000
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