SiH4
Alexandria ALEXAlex-ID: agm006797724 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_150_spg19
SiH4
2024-01-27 15:02:04.785473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006797724).
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 agm006797724
data_agm006797724
_cell_length_a 4.33000
_cell_length_b 7.10538
_cell_length_c 7.49808
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 230.68814
_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
Si1 Si 0.65781 0.00854 0.86045 1.00000
Si2 Si 0.15781 0.49146 0.13955 1.00000
Si3 Si 0.34219 0.50854 0.63955 1.00000
Si4 Si 0.84219 0.99146 0.36045 1.00000
H1 H 0.88337 0.85356 0.83188 1.00000
H2 H 0.38337 0.64644 0.16812 1.00000
H3 H 0.11663 0.35356 0.66812 1.00000
H4 H 0.61663 0.14644 0.33188 1.00000
H5 H 0.82485 0.18659 0.90125 1.00000
H6 H 0.32485 0.31341 0.09875 1.00000
H7 H 0.17515 0.68659 0.59875 1.00000
H8 H 0.67515 0.81341 0.40125 1.00000
H9 H 0.46912 0.03541 0.69572 1.00000
H10 H 0.96912 0.46459 0.30428 1.00000
H11 H 0.53088 0.53541 0.80428 1.00000
H12 H 0.03088 0.96459 0.19572 1.00000
H13 H 0.44718 0.95965 0.01061 1.00000
H14 H 0.94718 0.54035 0.98939 1.00000
H15 H 0.55282 0.45965 0.48939 1.00000
H16 H 0.05282 0.04035 0.51061 1.00000
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