SrLiNb2O6F
Alexandria ALEXAlex-ID: agm005246703 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E6_53_spg7
SrNb2O6 LiF
2023-05-09 02:04:27.847890
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246703).
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 agm005246703
data_agm005246703
_cell_length_a 5.60845
_cell_length_b 5.59739
_cell_length_c 10.66636
_cell_angle_alpha 75.40824
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 324.04516
_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 0.23763 0.02388 0.98022 1.00000
Sr2 Sr 0.76237 0.52388 0.98022 1.00000
Li1 Li 0.48972 0.99900 0.49193 1.00000
Li2 Li 0.51028 0.49900 0.49193 1.00000
Nb1 Nb 0.25660 0.61120 0.77035 1.00000
Nb2 Nb 0.72431 0.92261 0.21423 1.00000
Nb3 Nb 0.74340 0.11120 0.77035 1.00000
Nb4 Nb 0.27569 0.42261 0.21423 1.00000
O1 O 0.19597 0.46288 0.02441 1.00000
O2 O 0.00032 0.34691 0.79618 1.00000
O3 O 0.32058 0.69202 0.60029 1.00000
O4 O 0.99968 0.84691 0.79618 1.00000
O5 O 0.66881 0.80238 0.38836 1.00000
O6 O 0.80403 0.96288 0.02441 1.00000
O7 O 0.49572 0.83557 0.82887 1.00000
O8 O 0.67942 0.19202 0.60029 1.00000
O9 O 0.56081 0.22854 0.17537 1.00000
O10 O 0.50428 0.33557 0.82887 1.00000
O11 O 0.33119 0.30238 0.38836 1.00000
O12 O 0.43919 0.72854 0.17537 1.00000
F1 F 0.94065 0.57503 0.22979 1.00000
F2 F 0.05935 0.07503 0.22979 1.00000
