Hf3Nb2Hg3
Alexandria ALEXAlex-ID: agm009259409 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_15_spg12
Hf2Nb2Hg Hg Hf2Hg
2024-03-07 05:32:48.783359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009259409).
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 agm009259409
data_agm009259409
_cell_length_a 9.88856
_cell_length_b 9.88856
_cell_length_c 9.88856
_cell_angle_alpha 157.35899
_cell_angle_beta 153.86413
_cell_angle_gamma 34.84638
_cell_volume 163.79038
_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 0.37270 0.37270 0.00000 1.00000
Hf2 Hf 0.62730 0.62730 0.00000 1.00000
Hf3 Hf 0.00000 0.50000 0.50000 1.00000
Nb1 Nb 0.74997 0.24997 0.50000 1.00000
Nb2 Nb 0.25003 0.75003 0.50000 1.00000
Hg1 Hg 0.86852 0.86852 0.00000 1.00000
Hg2 Hg 0.50000 0.00000 0.50000 1.00000
Hg3 Hg 0.13148 0.13148 0.00000 1.00000
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