AcSiO4
Alexandria ALEXAlex-ID: agm005754298 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1979_spg88
Ac2(SiO3)3 AcO3
2023-07-30 23:21:51.853213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754298).
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 agm005754298
data_agm005754298
_cell_length_a 5.20992
_cell_length_b 5.20606
_cell_length_c 7.22009
_cell_angle_alpha 111.14301
_cell_angle_beta 111.15945
_cell_angle_gamma 89.97279
_cell_volume 168.42958
_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
Ac1 Ac 0.37501 0.12501 0.75003 1.00000
Ac2 Ac 0.62499 0.87499 0.24997 1.00000
Si1 Si 0.12504 0.37504 0.25007 1.00000
Si2 Si 0.87496 0.62496 0.74993 1.00000
O1 O 0.19206 0.80113 0.89224 1.00000
O2 O 0.70017 0.59111 0.89224 1.00000
O3 O 0.09105 0.69231 0.39243 1.00000
O4 O 0.90895 0.30769 0.60757 1.00000
O5 O 0.69862 0.79988 0.60757 1.00000
O6 O 0.29983 0.40889 0.10776 1.00000
O7 O 0.30138 0.20012 0.39243 1.00000
O8 O 0.80794 0.19887 0.10776 1.00000
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