Hf6AsC2
Alexandria ALEXAlex-ID: agm003500535 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_907_spg12
Hf3C2 Hf3As
2022-02-23 16:24:36.672918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500535).
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 agm003500535
data_agm003500535
_cell_length_a 4.45130
_cell_length_b 5.87959
_cell_length_c 7.48450
_cell_angle_alpha 70.44516
_cell_angle_beta 72.70041
_cell_angle_gamma 67.75681
_cell_volume 167.54616
_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 0.68555 0.70578 0.92312 1.00000
Hf2 Hf 0.31445 0.29422 0.07688 1.00000
Hf3 Hf 0.97886 0.84899 0.19328 1.00000
Hf4 Hf 0.33574 0.75208 0.57644 1.00000
Hf5 Hf 0.02114 0.15101 0.80672 1.00000
Hf6 Hf 0.66426 0.24792 0.42356 1.00000
As1 As 0.00000 0.50000 0.50000 1.00000
C1 C 0.18275 0.72339 0.91111 1.00000
C2 C 0.81725 0.27661 0.08889 1.00000
Get direct link