Sr2NbFeGe2O9F
Alexandria ALEXAlex-ID: agm010346043 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F9_6_spg1
SrFe(GeO3)2 SrNb2O6 SrF2
2024-04-10 12:16:24.080071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010346043).
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 agm010346043
data_agm010346043
_cell_length_a 5.74372
_cell_length_b 5.84733
_cell_length_c 7.72323
_cell_angle_alpha 103.47763
_cell_angle_beta 104.63400
_cell_angle_gamma 106.20786
_cell_volume 227.77007
_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 0.16885 0.84752 0.19534 1.00000
Sr2 Sr 0.83078 0.15058 0.80439 1.00000
Nb1 Nb 0.50555 0.49061 0.52022 1.00000
Fe1 Fe 0.49956 0.49836 0.99698 1.00000
Ge1 Ge 0.18375 0.79662 0.75693 1.00000
Ge2 Ge 0.81552 0.20436 0.23976 1.00000
O1 O 0.82819 0.43153 0.12422 1.00000
O2 O 0.38933 0.78666 0.61556 1.00000
O3 O 0.16989 0.57045 0.87460 1.00000
O4 O 0.61022 0.21305 0.38050 1.00000
O5 O 0.86672 0.74259 0.59663 1.00000
O6 O 0.74219 0.91165 0.06976 1.00000
O7 O 0.13333 0.26008 0.39641 1.00000
O8 O 0.25605 0.08847 0.92810 1.00000
O9 O 0.55849 0.40866 0.73569 1.00000
F1 F 0.44157 0.59881 0.26490 1.00000
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