SrNbF7
Alexandria ALEXAlex-ID: agm024225438 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_12_spg11
SrNbF7
2024-09-26 04:53:22.676326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024225438).
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 agm024225438
data_agm024225438
_cell_length_a 7.32852
_cell_length_b 4.98125
_cell_length_c 6.84049
_cell_angle_alpha 85.45160
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 248.92679
_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 0.25000 0.52802 0.18062 1.00000
Sr2 Sr 0.75000 0.47198 0.81938 1.00000
Nb1 Nb 0.25000 0.96866 0.71818 1.00000
Nb2 Nb 0.75000 0.03134 0.28182 1.00000
F1 F 0.25000 0.15986 0.45119 1.00000
F2 F 0.52566 0.82333 0.28130 1.00000
F3 F 0.75000 0.84014 0.54881 1.00000
F4 F 0.02566 0.17667 0.71870 1.00000
F5 F 0.25000 0.67738 0.54423 1.00000
F6 F 0.07627 0.69286 0.85960 1.00000
F7 F 0.42373 0.69286 0.85960 1.00000
F8 F 0.57627 0.30714 0.14040 1.00000
F9 F 0.97434 0.82333 0.28130 1.00000
F10 F 0.75000 0.32262 0.45577 1.00000
F11 F 0.47434 0.17667 0.71870 1.00000
F12 F 0.75000 0.91762 0.00356 1.00000
F13 F 0.92373 0.30714 0.14040 1.00000
F14 F 0.25000 0.08238 0.99644 1.00000
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