SeOF2
Alexandria ALEXAlex-ID: agm002176352 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_240_spg4
SeOF2
2018-05-18 05:44:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176352).
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 agm002176352
data_agm002176352
_cell_length_a 5.32862
_cell_length_b 6.16874
_cell_length_c 7.79043
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.99958
_cell_volume 247.35282
_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
O1 O 0.69341 0.01260 0.63046 1.00000
O2 O 0.37369 0.76367 0.85337 1.00000
O3 O 0.30659 0.98740 0.13046 1.00000
O4 O 0.62631 0.23633 0.35337 1.00000
Se1 Se 0.55120 0.26074 0.12801 1.00000
Se2 Se 0.13833 0.90910 0.93069 1.00000
Se3 Se 0.44880 0.73926 0.62801 1.00000
Se4 Se 0.86167 0.09090 0.43069 1.00000
F1 F 0.64020 0.79924 0.35742 1.00000
F2 F 0.35980 0.20076 0.85742 1.00000
F3 F 0.97491 0.65581 0.04560 1.00000
F4 F 0.69902 0.61201 0.70846 1.00000
F5 F 0.02509 0.34419 0.54560 1.00000
F6 F 0.19037 0.90207 0.57450 1.00000
F7 F 0.30098 0.38799 0.20846 1.00000
F8 F 0.80963 0.09793 0.07450 1.00000
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