HfSn4F12
Alexandria ALEXAlex-ID: agm080693148 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_317_spg12
HfSn4F12
2025-02-23 10:49:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080693148).
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 agm080693148
data_agm080693148
_cell_length_a 7.30558
_cell_length_b 7.31084
_cell_length_c 8.30467
_cell_angle_alpha 70.60470
_cell_angle_beta 70.50415
_cell_angle_gamma 80.00029
_cell_volume 393.40730
_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
Hf1 Hf 0.03050 0.03052 0.76358 1.00000
Sn1 Sn 0.61458 0.06429 0.47869 1.00000
Sn2 Sn 0.99452 0.44358 0.05222 1.00000
Sn3 Sn 0.06409 0.61519 0.47873 1.00000
Sn4 Sn 0.44383 0.99432 0.05197 1.00000
F1 F 0.52776 0.02484 0.26801 1.00000
F2 F 0.02472 0.52744 0.26834 1.00000
F3 F 0.91812 0.22257 0.90448 1.00000
F4 F 0.22374 0.91736 0.90295 1.00000
F5 F 0.86165 0.86166 0.40595 1.00000
F6 F 0.19784 0.19774 0.12529 1.00000
F7 F 0.83763 0.83728 0.94025 1.00000
F8 F 0.22359 0.22382 0.58636 1.00000
F9 F 0.75006 0.30610 0.26305 1.00000
F10 F 0.83723 0.14441 0.62473 1.00000
F11 F 0.30597 0.75026 0.26251 1.00000
F12 F 0.14416 0.83863 0.62289 1.00000
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