Cd4SiO5
Alexandria ALEXAlex-ID: agm003658878 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_182_spg79
Cd3SiO5 Cd
2022-04-07 17:21:34.269837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658878).
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 agm003658878
data_agm003658878
_cell_length_a 4.39033
_cell_length_b 5.90216
_cell_length_c 5.90216
_cell_angle_alpha 82.04886
_cell_angle_beta 68.16558
_cell_angle_gamma 68.16558
_cell_volume 131.78365
_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
Cd1 Cd 0.40866 0.41178 0.78020 1.00000
Cd2 Cd 0.82044 0.78020 0.58822 1.00000
Cd3 Cd 0.18886 0.21980 0.41178 1.00000
Cd4 Cd 0.60064 0.58822 0.21980 1.00000
Si1 Si 0.06146 1.00000 1.00000 1.00000
O1 O 0.88875 0.30893 0.90468 1.00000
O2 O 0.19768 0.90468 0.69107 1.00000
O3 O 0.79343 0.09532 0.30893 1.00000
O4 O 0.10236 0.69107 0.09532 1.00000
O5 O 0.44801 0.00000 0.00000 1.00000
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