Mg(VI3)2
Alexandria ALEXAlex-ID: agm005758039 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1810_spg12
Mg(VI3)2
2023-07-08 17:38:13.999282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758039).
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 agm005758039
data_agm005758039
_cell_length_a 4.14331
_cell_length_b 8.95425
_cell_length_c 9.82442
_cell_angle_alpha 108.95875
_cell_angle_beta 102.17320
_cell_angle_gamma 90.00000
_cell_volume 336.03772
_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
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
V1 V 0.83306 0.66695 0.66611 1.00000
V2 V 0.16694 0.33305 0.33389 1.00000
I1 I 0.33796 0.88946 0.67592 1.00000
I2 I 0.00955 0.23796 0.01910 1.00000
I3 I 0.67635 0.55732 0.35270 1.00000
I4 I 0.99045 0.76204 0.98090 1.00000
I5 I 0.66204 0.11054 0.32408 1.00000
I6 I 0.32365 0.44268 0.64730 1.00000
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