Ga12SiH4
Alexandria ALEXAlex-ID: agm099656774 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_333_spg123
SiH4 Ga
2025-04-15 15:34:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099656774).
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
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# CIF generated by HEAS from Alexandria entry agm099656774
data_agm099656774
_cell_length_a 4.43679
_cell_length_b 9.08004
_cell_length_c 7.44312
_cell_angle_alpha 91.49686
_cell_angle_beta 89.80458
_cell_angle_gamma 90.51453
_cell_volume 299.73958
_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
Ga1 Ga 0.60857 0.06632 0.90801 1.00000
Ga2 Ga 0.49593 0.09895 0.25467 1.00000
Ga3 Ga 0.48680 0.47590 0.67179 1.00000
Ga4 Ga 0.51139 0.53964 0.32278 1.00000
Ga5 Ga 0.50636 0.82053 0.11273 1.00000
Ga6 Ga 0.39625 0.87700 0.47049 1.00000
Ga7 Ga 0.47856 0.38646 0.01059 1.00000
Ga8 Ga 0.46904 0.16863 0.60512 1.00000
Ga9 Ga 0.00654 0.79902 0.88758 1.00000
Ga10 Ga 0.00496 0.68950 0.24756 1.00000
Ga11 Ga 0.98075 0.32976 0.60196 1.00000
Ga12 Ga 0.00125 0.22197 0.21195 1.00000
Si1 Si 0.50692 0.74131 0.74289 1.00000
H1 H 0.98638 0.99320 0.89041 1.00000
H2 H 0.01284 0.84170 0.41453 1.00000
H3 H 0.05742 0.33313 0.02972 1.00000
H4 H 0.99006 0.36699 0.36722 1.00000
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