YHf2Nb5
Alexandria ALEXAlex-ID: agm017186762 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_2232_spg2
Y HfNb17 Hf
2024-10-23 01:00:19.232738
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017186762).
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 agm017186762
data_agm017186762
_cell_length_a 4.84782
_cell_length_b 6.12470
_cell_length_c 11.24520
_cell_angle_alpha 78.89110
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 327.63046
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Hf1 Hf 0.00000 0.86565 0.37551 1.00000
Hf2 Hf 0.00000 0.13435 0.62449 1.00000
Hf3 Hf 0.00000 0.35015 0.86107 1.00000
Hf4 Hf 0.00000 0.64985 0.13893 1.00000
Nb1 Nb 0.50000 0.00000 0.00000 1.00000
Nb2 Nb 0.50000 0.00000 0.50000 1.00000
Nb3 Nb 0.50000 0.23431 0.25808 1.00000
Nb4 Nb 0.50000 0.76569 0.74192 1.00000
Nb5 Nb 0.50000 0.22696 0.76293 1.00000
Nb6 Nb 0.50000 0.77304 0.23707 1.00000
Nb7 Nb 0.00000 0.13086 0.12763 1.00000
Nb8 Nb 0.00000 0.86914 0.87237 1.00000
Nb9 Nb 0.00000 0.65724 0.64372 1.00000
Nb10 Nb 0.00000 0.34276 0.35628 1.00000
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