Cd2MoF6
Alexandria ALEXAlex-ID: agm097187436 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2313_spg2
MoF3 Cd CdF2
2025-04-06 22:39:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097187436).
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 agm097187436
data_agm097187436
_cell_length_a 4.26549
_cell_length_b 4.13004
_cell_length_c 9.65104
_cell_angle_alpha 78.01766
_cell_angle_beta 101.64969
_cell_angle_gamma 89.79028
_cell_volume 162.70423
_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
Cd1 Cd 0.74753 0.86584 0.12843 1.00000
Cd2 Cd 0.36139 0.24407 0.37162 1.00000
Mo1 Mo 0.55656 0.55638 0.74996 1.00000
F1 F 0.66703 0.44317 0.97734 1.00000
F2 F 0.44464 0.66901 0.52255 1.00000
F3 F 0.55728 0.05643 0.74990 1.00000
F4 F 0.28534 0.82306 0.21100 1.00000
F5 F 0.05661 0.55672 0.74998 1.00000
F6 F 0.82361 0.28532 0.28923 1.00000
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