Zn3SiH8
Alexandria ALEXAlex-ID: agm007446504 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_787_spg1
SiH4 SiH20 Zn
2024-02-08 03:19:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007446504).
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 agm007446504
data_agm007446504
_cell_length_a 5.24636
_cell_length_b 4.60168
_cell_length_c 7.83566
_cell_angle_alpha 88.75178
_cell_angle_beta 94.37253
_cell_angle_gamma 122.58087
_cell_volume 158.89417
_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
Zn1 Zn 0.22856 0.34561 0.26457 1.00000
Zn2 Zn 0.95143 0.31409 0.95265 1.00000
Zn3 Zn 0.81907 0.53140 0.25574 1.00000
Si1 Si 0.86907 0.87740 0.76182 1.00000
H1 H 0.68469 0.30285 0.06704 1.00000
H2 H 0.55479 0.56298 0.73430 1.00000
H3 H 0.98539 0.97803 0.58747 1.00000
H4 H 0.29570 0.53825 0.07094 1.00000
H5 H 0.96460 0.93813 0.20094 1.00000
H6 H 0.52638 0.39557 0.38026 1.00000
H7 H 0.06199 0.48422 0.38846 1.00000
H8 H 0.05833 0.73147 0.83582 1.00000
Get direct link