Sr(NF4)3
Alexandria ALEXAlex-ID: agm005859636 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_189_spg161
Sr4F31 NF3 SrF2
2023-07-24 02:54:42.922658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005859636).
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 agm005859636
data_agm005859636
_cell_length_a 7.78175
_cell_length_b 7.78175
_cell_length_c 13.57389
_cell_angle_alpha 73.34285
_cell_angle_beta 73.34285
_cell_angle_gamma 60.00000
_cell_volume 671.72761
_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 0.07803 0.07803 0.76590 1.00000
Sr2 Sr 0.57803 0.57803 0.26590 1.00000
N1 N 0.64747 0.40464 0.02036 1.00000
N2 N 0.14747 0.42754 0.52036 1.00000
N3 N 0.90464 0.14747 0.52036 1.00000
N4 N 0.40464 0.92754 0.02036 1.00000
N5 N 0.92754 0.64747 0.02036 1.00000
N6 N 0.42754 0.90464 0.52036 1.00000
F1 F 0.20333 0.98100 0.06616 1.00000
F2 F 0.98682 0.41767 0.61094 1.00000
F3 F 0.89576 0.03901 0.46012 1.00000
F4 F 0.98566 0.32449 0.85794 1.00000
F5 F 0.48566 0.33191 0.35794 1.00000
F6 F 0.39576 0.10511 0.96012 1.00000
F7 F 0.48682 0.48456 0.11094 1.00000
F8 F 0.03901 0.60511 0.46012 1.00000
F9 F 0.70333 0.24951 0.56616 1.00000
F10 F 0.98456 0.98682 0.61094 1.00000
F11 F 0.82449 0.48566 0.35794 1.00000
F12 F 0.24951 0.48100 0.56616 1.00000
F13 F 0.10511 0.53901 0.96012 1.00000
F14 F 0.74951 0.20333 0.06616 1.00000
F15 F 0.32449 0.83191 0.85794 1.00000
F16 F 0.48456 0.91767 0.11094 1.00000
F17 F 0.91767 0.48682 0.11094 1.00000
F18 F 0.53901 0.39576 0.96012 1.00000
F19 F 0.48100 0.70333 0.56616 1.00000
F20 F 0.83191 0.98566 0.85794 1.00000
F21 F 0.33191 0.82449 0.35794 1.00000
F22 F 0.98100 0.74951 0.06616 1.00000
F23 F 0.41767 0.98456 0.61094 1.00000
F24 F 0.60511 0.89576 0.46012 1.00000
