SmZn2F6
Alexandria ALEXAlex-ID: agm097301567 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3908_spg2
ZnF2 Zn SmF3
2025-04-06 22:48:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097301567).
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 agm097301567
data_agm097301567
_cell_length_a 4.37060
_cell_length_b 4.37060
_cell_length_c 9.65588
_cell_angle_alpha 81.13273
_cell_angle_beta 98.86727
_cell_angle_gamma 77.97452
_cell_volume 174.90165
_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 0.47804 0.52196 0.74874 1.00000
Zn1 Zn 0.59640 0.40360 0.19380 1.00000
Zn2 Zn 0.20111 0.79889 0.30434 1.00000
F1 F 0.51433 0.48567 0.98653 1.00000
F2 F 0.30301 0.69699 0.51145 1.00000
F3 F 0.00052 0.40799 0.74861 1.00000
F4 F 0.09721 0.29755 0.24965 1.00000
F5 F 0.59201 0.99948 0.74861 1.00000
F6 F 0.70245 0.90279 0.24965 1.00000
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