Fe(Si2O3)2
Alexandria ALEXAlex-ID: agm005508634 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_198_spg8
FeSi SiO2
2023-03-26 13:57:49.193828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508634).
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 agm005508634
data_agm005508634
_cell_length_a 2.90723
_cell_length_b 7.47789
_cell_length_c 8.48434
_cell_angle_alpha 102.49975
_cell_angle_beta 99.87008
_cell_angle_gamma 101.20614
_cell_volume 172.19909
_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
Fe1 Fe 0.00416 0.91572 0.20935 1.00000
Si1 Si 0.35291 0.12404 0.69927 1.00000
Si2 Si 0.66424 0.88453 0.56133 1.00000
Si3 Si 0.51844 0.16545 0.98868 1.00000
Si4 Si 0.41781 0.44599 0.50845 1.00000
O1 O 0.46718 0.98269 0.06870 1.00000
O2 O 0.10572 0.28007 0.04867 1.00000
O3 O 0.55481 0.86693 0.35951 1.00000
O4 O 0.43287 0.33238 0.65214 1.00000
O5 O 0.57464 0.67285 0.59492 1.00000
O6 O 0.84122 0.39534 0.40598 1.00000
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