Sr2GaH2OF7
Alexandria ALEXAlex-ID: agm006318342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E7_56_spg2
SrGaF5 H2O SrF2
2025-02-02 04:07:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006318342).
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 agm006318342
data_agm006318342
_cell_length_a 6.25595
_cell_length_b 6.30464
_cell_length_c 9.71477
_cell_angle_alpha 79.24046
_cell_angle_beta 77.59004
_cell_angle_gamma 72.56025
_cell_volume 353.92311
_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 0.40600 0.40533 0.35838 1.00000
Sr2 Sr 0.59400 0.59467 0.64162 1.00000
Sr3 Sr 0.84125 0.83183 0.19628 1.00000
Sr4 Sr 0.15875 0.16817 0.80372 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ga2 Ga 0.00000 0.00000 0.50000 1.00000
H1 H 0.15345 0.13375 0.17218 1.00000
H2 H 0.84655 0.86625 0.82782 1.00000
H3 H 0.30438 0.92527 0.10041 1.00000
H4 H 0.69562 0.07473 0.89959 1.00000
O1 O 0.16209 0.04650 0.09518 1.00000
O2 O 0.83791 0.95350 0.90482 1.00000
F1 F 0.55183 0.68505 0.11966 1.00000
F2 F 0.44817 0.31495 0.88034 1.00000
F3 F 0.20296 0.54036 0.11651 1.00000
F4 F 0.79704 0.45964 0.88349 1.00000
F5 F 0.60666 0.23551 0.13061 1.00000
F6 F 0.39334 0.76449 0.86939 1.00000
F7 F 0.15513 0.17246 0.35036 1.00000
F8 F 0.84487 0.82754 0.64964 1.00000
F9 F 0.74248 0.08520 0.40103 1.00000
F10 F 0.25752 0.91480 0.59897 1.00000
F11 F 0.10404 0.75365 0.38678 1.00000
F12 F 0.89596 0.24635 0.61322 1.00000
F13 F 0.65756 0.61756 0.38906 1.00000
F14 F 0.34244 0.38244 0.61094 1.00000
