Hf20Si12B
Alexandria ALEXAlex-ID: agm005256545 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB12C20_2_spg10
Hf3Si2 Hf2Si HfB2
2024-10-03 22:37:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256545).
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 agm005256545
data_agm005256545
_cell_length_a 5.54255
_cell_length_b 7.90272
_cell_length_c 13.66055
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 89.95126
_cell_volume 598.34933
_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 0.50000 1.00000 0.33323 1.00000
Hf2 Hf 0.50000 0.49999 0.83308 1.00000
Hf3 Hf 0.50000 0.49999 0.16692 1.00000
Hf4 Hf 0.50000 1.00000 0.66677 1.00000
Hf5 Hf 0.00000 0.50001 0.16715 1.00000
Hf6 Hf 1.00000 0.00000 0.66618 1.00000
Hf7 Hf 1.00000 0.00000 0.33382 1.00000
Hf8 Hf 0.00000 0.50001 0.83285 1.00000
Hf9 Hf 0.75387 0.24667 1.00000 1.00000
Hf10 Hf 0.75053 0.75332 0.50000 1.00000
Hf11 Hf 0.74877 0.37568 0.37528 1.00000
Hf12 Hf 0.75487 0.87614 0.87639 1.00000
Hf13 Hf 0.75487 0.87614 0.12361 1.00000
Hf14 Hf 0.74877 0.37568 0.62472 1.00000
Hf15 Hf 0.24613 0.75333 0.00000 1.00000
Hf16 Hf 0.24946 0.24669 0.50000 1.00000
Hf17 Hf 0.24513 0.12387 0.12361 1.00000
Hf18 Hf 0.25123 0.62432 0.62472 1.00000
Hf19 Hf 0.25123 0.62432 0.37528 1.00000
Hf20 Hf 0.24513 0.12387 0.87639 1.00000
Si1 Si 0.75324 0.60332 1.00000 1.00000
Si2 Si 0.74799 0.11008 0.50000 1.00000
Si3 Si 0.75213 0.19773 0.19796 1.00000
Si4 Si 0.75101 0.69598 0.69565 1.00000
Si5 Si 0.75101 0.69598 0.30435 1.00000
Si6 Si 0.75213 0.19773 0.80204 1.00000
Si7 Si 0.24675 0.39669 0.00000 1.00000
Si8 Si 0.25200 0.88992 0.50000 1.00000
Si9 Si 0.24900 0.30402 0.30435 1.00000
Si10 Si 0.24787 0.80227 0.80204 1.00000
Si11 Si 0.24787 0.80227 0.19796 1.00000
Si12 Si 0.24900 0.30402 0.69565 1.00000
B1 B 1.00000 0.00000 0.00000 1.00000
