Sr2ZrFeSi2O9F
Alexandria ALEXAlex-ID: agm010346027 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F9_6_spg1
SrSiO3 ZrSiO4 Fe2O3 SrF2 ZrO2
2024-06-24 11:38:27.574368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010346027).
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 agm010346027
data_agm010346027
_cell_length_a 5.64620
_cell_length_b 5.73454
_cell_length_c 7.55291
_cell_angle_alpha 104.44234
_cell_angle_beta 103.09685
_cell_angle_gamma 106.48668
_cell_volume 215.12609
_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
Sr1 Sr 0.15866 0.83961 0.79365 1.00000
Sr2 Sr 0.84119 0.16327 0.20448 1.00000
Zr1 Zr 0.50520 0.49547 0.48516 1.00000
Fe1 Fe 0.50416 0.49913 0.01138 1.00000
Si1 Si 0.18457 0.81021 0.24347 1.00000
Si2 Si 0.81347 0.19079 0.75729 1.00000
O1 O 0.59666 0.19130 0.87360 1.00000
O2 O 0.19276 0.61723 0.37424 1.00000
O3 O 0.39920 0.81058 0.12394 1.00000
O4 O 0.80819 0.38411 0.62719 1.00000
O5 O 0.24683 0.10620 0.38843 1.00000
O6 O 0.10354 0.26703 0.91640 1.00000
O7 O 0.74663 0.89092 0.61803 1.00000
O8 O 0.89660 0.73470 0.08046 1.00000
O9 O 0.58562 0.43300 0.24478 1.00000
F1 F 0.41673 0.56644 0.75751 1.00000
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