SmGe2F6
Alexandria ALEXAlex-ID: agm097907430 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2583_spg12
GeF2 Ge SmF3
2025-04-08 13:40:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097907430).
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
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# CIF generated by HEAS from Alexandria entry agm097907430
data_agm097907430
_cell_length_a 4.50056
_cell_length_b 4.45132
_cell_length_c 10.24903
_cell_angle_alpha 78.54919
_cell_angle_beta 61.14593
_cell_angle_gamma 85.32151
_cell_volume 176.22897
_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
Sm1 Sm 0.47138 0.54388 0.29641 1.00000
Ge1 Ge 0.20590 0.62230 0.85270 1.00000
Ge2 Ge 0.97840 0.97173 0.66660 1.00000
F1 F 0.78622 0.63529 0.02960 1.00000
F2 F 0.05609 0.69718 0.52899 1.00000
F3 F 0.99430 0.55357 0.27421 1.00000
F4 F 0.09936 0.23816 0.84010 1.00000
F5 F 0.51090 0.06413 0.24260 1.00000
F6 F 0.39744 0.17375 0.51879 1.00000
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