Sr3Cu2(OF)4
Alexandria ALEXAlex-ID: agm005252408 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D4_7_spg119
Sr(CuO2)2 SrF2
2023-05-06 14:06:32.752565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252408).
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 agm005252408
data_agm005252408
_cell_length_a 12.05850
_cell_length_b 12.05850
_cell_length_c 12.05850
_cell_angle_alpha 161.74483
_cell_angle_beta 161.74483
_cell_angle_gamma 25.92833
_cell_volume 171.99487
_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 0.75000 0.50000 1.00000
Sr2 Sr 0.42142 0.92142 0.50000 1.00000
Sr3 Sr 0.07858 0.57858 0.50000 1.00000
Cu1 Cu 0.66133 0.16133 0.50000 1.00000
Cu2 Cu 0.83867 0.33867 0.50000 1.00000
O1 O 0.65897 0.65897 0.00000 1.00000
O2 O 0.34103 0.34103 0.00000 1.00000
O3 O 0.83417 0.83417 0.00000 1.00000
O4 O 0.16583 0.16583 0.00000 1.00000
F1 F 0.75000 0.25000 0.50000 1.00000
F2 F 0.57309 0.07309 0.50000 1.00000
F3 F 0.92691 0.42691 0.50000 1.00000
F4 F 0.00000 0.00000 0.00000 1.00000
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