Zn2MoF8
Alexandria ALEXAlex-ID: agm005997165 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
ZnMoF6 ZnF2
2023-10-17 17:38:25.205808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997165).
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 agm005997165
data_agm005997165
_cell_length_a 4.04022
_cell_length_b 6.29633
_cell_length_c 6.58409
_cell_angle_alpha 118.32959
_cell_angle_beta 90.41482
_cell_angle_gamma 89.99605
_cell_volume 147.42514
_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
Zn1 Zn 0.24694 0.32708 0.65146 1.00000
Zn2 Zn 0.75306 0.67292 0.34852 1.00000
Mo1 Mo 0.00000 0.00000 0.99999 1.00000
F1 F 0.25423 0.67285 0.35034 1.00000
F2 F 0.74577 0.32715 0.64963 1.00000
F3 F 0.74671 0.84322 0.15125 1.00000
F4 F 0.24631 0.15263 0.30611 1.00000
F5 F 0.25328 0.69306 0.85066 1.00000
F6 F 0.25328 0.15678 0.84874 1.00000
F7 F 0.75369 0.84736 0.69387 1.00000
F8 F 0.74672 0.30694 0.14933 1.00000
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