Hf2Co3Si4
Alexandria ALEXAlex-ID: agm003244635 · Space group: Pbcn (#60)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_101_spg60
Hf2Co3Si4
2021-12-17 20:50:06.125294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003244635).
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 agm003244635
data_agm003244635
_cell_length_a 5.19486
_cell_length_b 6.73850
_cell_length_c 13.68167
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 478.93418
_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 0.23173 0.39902 0.14563 1.00000
Hf2 Hf 0.73173 0.10098 0.14563 1.00000
Hf3 Hf 0.26827 0.10098 0.64563 1.00000
Hf4 Hf 0.76827 0.39902 0.64563 1.00000
Hf5 Hf 0.23173 0.60098 0.35437 1.00000
Hf6 Hf 0.73173 0.89902 0.35437 1.00000
Hf7 Hf 0.26827 0.89902 0.85437 1.00000
Hf8 Hf 0.76827 0.60098 0.85437 1.00000
Co1 Co 0.99445 0.27544 0.98172 1.00000
Co2 Co 0.50555 0.22456 0.48172 1.00000
Co3 Co 0.77402 0.00000 0.75000 1.00000
Co4 Co 0.49445 0.22456 0.98172 1.00000
Co5 Co 0.72598 0.50000 0.25000 1.00000
Co6 Co 0.49445 0.77544 0.51828 1.00000
Co7 Co 0.00555 0.27544 0.48172 1.00000
Co8 Co 0.00555 0.72456 0.01828 1.00000
Co9 Co 0.22598 0.00000 0.25000 1.00000
Co10 Co 0.27402 0.50000 0.75000 1.00000
Co11 Co 0.50555 0.77544 0.01828 1.00000
Co12 Co 0.99445 0.72456 0.51828 1.00000
Si1 Si 0.21777 0.01909 0.06876 1.00000
Si2 Si 0.71777 0.51909 0.43124 1.00000
Si3 Si 0.78223 0.01909 0.56876 1.00000
Si4 Si 0.48123 0.75343 0.18727 1.00000
Si5 Si 0.01877 0.25343 0.81273 1.00000
Si6 Si 0.51877 0.24657 0.81273 1.00000
Si7 Si 0.21777 0.98091 0.43124 1.00000
Si8 Si 0.28223 0.51909 0.93124 1.00000
Si9 Si 0.98123 0.74657 0.18727 1.00000
Si10 Si 0.71777 0.48091 0.06876 1.00000
Si11 Si 0.28223 0.48091 0.56876 1.00000
Si12 Si 0.48123 0.24657 0.31273 1.00000
Si13 Si 0.01877 0.74657 0.68727 1.00000
Si14 Si 0.78223 0.98091 0.93124 1.00000
Si15 Si 0.51877 0.75343 0.68727 1.00000
Si16 Si 0.98123 0.25343 0.31273 1.00000
