Y5Hf5(Si5Os2)4
Alexandria ALEXAlex-ID: agm019103733 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C8D20_0_spg38
Y5(Si7Os2)2 Y2Si5Os3 HfSi Si2Os
2025-01-29 08:46:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019103733).
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 agm019103733
data_agm019103733
_cell_length_a 12.55934
_cell_length_b 12.55934
_cell_length_c 4.16097
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.23681
_cell_volume 656.33381
_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 0.38000 0.38000 0.50000 1.00000
Y2 Y 0.88010 0.11686 0.50000 1.00000
Y3 Y 0.11686 0.88010 0.50000 1.00000
Y4 Y 0.49845 0.99525 0.00000 1.00000
Y5 Y 0.99525 0.49845 0.00000 1.00000
Hf1 Hf 0.81987 0.81987 0.50000 1.00000
Hf2 Hf 0.17279 0.17279 0.50000 1.00000
Hf3 Hf 0.67294 0.33247 0.50000 1.00000
Hf4 Hf 0.33247 0.67294 0.50000 1.00000
Hf5 Hf 0.62501 0.62501 0.50000 1.00000
Si1 Si 0.92984 0.92984 0.00000 1.00000
Si2 Si 0.06588 0.06588 0.00000 1.00000
Si3 Si 0.56440 0.43258 0.00000 1.00000
Si4 Si 0.43258 0.56440 0.00000 1.00000
Si5 Si 0.30185 0.83145 0.00000 1.00000
Si6 Si 0.69648 0.16406 0.00000 1.00000
Si7 Si 0.19635 0.33497 0.00000 1.00000
Si8 Si 0.79891 0.66323 0.00000 1.00000
Si9 Si 0.33497 0.19635 0.00000 1.00000
Si10 Si 0.66323 0.79891 0.00000 1.00000
Si11 Si 0.83145 0.30185 0.00000 1.00000
Si12 Si 0.16406 0.69648 0.00000 1.00000
Si13 Si 0.52107 0.82835 0.50000 1.00000
Si14 Si 0.50839 0.15718 0.50000 1.00000
Si15 Si 0.02853 0.33939 0.50000 1.00000
Si16 Si 0.98820 0.65678 0.50000 1.00000
Si17 Si 0.33939 0.02853 0.50000 1.00000
Si18 Si 0.65678 0.98820 0.50000 1.00000
Si19 Si 0.82835 0.52107 0.50000 1.00000
Si20 Si 0.15718 0.50839 0.50000 1.00000
Os1 Os 0.47828 0.74798 0.00000 1.00000
Os2 Os 0.51988 0.24664 0.00000 1.00000
Os3 Os 0.01558 0.25188 0.00000 1.00000
Os4 Os 0.97773 0.74562 0.00000 1.00000
Os5 Os 0.25188 0.01558 0.00000 1.00000
Os6 Os 0.74562 0.97773 0.00000 1.00000
Os7 Os 0.74798 0.47828 0.00000 1.00000
Os8 Os 0.24664 0.51988 0.00000 1.00000
