SrPF7
Alexandria ALEXAlex-ID: agm024184675 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_247_spg14
SrPF7
2024-12-26 16:28:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024184675).
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 agm024184675
data_agm024184675
_cell_length_a 4.74764
_cell_length_b 11.10988
_cell_length_c 12.10548
_cell_angle_alpha 90.00000
_cell_angle_beta 90.99427
_cell_angle_gamma 90.00000
_cell_volume 638.41589
_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 0.74665 0.57963 0.10034 1.00000
Sr2 Sr 0.25335 0.07963 0.39966 1.00000
Sr3 Sr 0.25335 0.42037 0.89966 1.00000
Sr4 Sr 0.74665 0.92037 0.60034 1.00000
P1 P 0.25860 0.31311 0.22653 1.00000
P2 P 0.74140 0.68689 0.77347 1.00000
P3 P 0.25860 0.18689 0.72653 1.00000
P4 P 0.74140 0.81311 0.27347 1.00000
F1 F 0.83872 0.68552 0.64350 1.00000
F2 F 0.43400 0.06207 0.74539 1.00000
F3 F 0.35286 0.30875 0.09689 1.00000
F4 F 0.64714 0.69125 0.90311 1.00000
F5 F 0.02205 0.60976 0.80815 1.00000
F6 F 0.53416 0.26638 0.76359 1.00000
F7 F 0.08402 0.18644 0.20873 1.00000
F8 F 0.97795 0.10976 0.69185 1.00000
F9 F 0.43400 0.43793 0.24539 1.00000
F10 F 0.64714 0.80875 0.40311 1.00000
F11 F 0.83872 0.81448 0.14350 1.00000
F12 F 0.16128 0.31448 0.35650 1.00000
F13 F 0.91598 0.68644 0.29127 1.00000
F14 F 0.75490 0.06751 0.45519 1.00000
F15 F 0.97795 0.39024 0.19185 1.00000
F16 F 0.02205 0.89024 0.30815 1.00000
F17 F 0.91598 0.81356 0.79127 1.00000
F18 F 0.16128 0.18552 0.85650 1.00000
F19 F 0.24510 0.56751 0.04481 1.00000
F20 F 0.56600 0.93793 0.25461 1.00000
F21 F 0.24510 0.93249 0.54481 1.00000
F22 F 0.08402 0.31356 0.70873 1.00000
F23 F 0.75490 0.43249 0.95519 1.00000
F24 F 0.46584 0.76638 0.73641 1.00000
F25 F 0.46584 0.73362 0.23641 1.00000
F26 F 0.53416 0.23362 0.26359 1.00000
F27 F 0.56600 0.56207 0.75461 1.00000
F28 F 0.35286 0.19125 0.59689 1.00000
