Y3Si2H
Alexandria ALEXAlex-ID: agm003417366 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1316_spg15
Y10Si6H YSi YH2
2022-02-13 08:31:14.156357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003417366).
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 agm003417366
data_agm003417366
_cell_length_a 5.70033
_cell_length_b 7.96957
_cell_length_c 6.95056
_cell_angle_alpha 106.64844
_cell_angle_beta 114.20878
_cell_angle_gamma 90.00000
_cell_volume 273.41249
_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 0.47549 0.25000 0.00000 1.00000
Y2 Y 0.52451 0.75000 1.00000 1.00000
Y3 Y 0.16498 0.08327 0.33261 1.00000
Y4 Y 0.83236 0.41673 0.66739 1.00000
Y5 Y 0.16764 0.58327 0.33261 1.00000
Y6 Y 0.83502 0.91673 0.66739 1.00000
Si1 Si 0.66632 0.58203 0.32853 1.00000
Si2 Si 0.66221 0.08203 0.32853 1.00000
Si3 Si 0.33779 0.91797 0.67147 1.00000
Si4 Si 0.33368 0.41797 0.67147 1.00000
H1 H 0.96303 0.75000 0.00000 1.00000
H2 H 0.03697 0.25000 1.00000 1.00000
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