MgV6O11F
Alexandria ALEXAlex-ID: agm005276959 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D11_12_spg1
V3O5 MgVO3 MgF2 VO2
2023-05-07 23:54:27.923163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005276959).
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 agm005276959
data_agm005276959
_cell_length_a 5.14629
_cell_length_b 5.12759
_cell_length_c 8.66953
_cell_angle_alpha 89.02029
_cell_angle_beta 88.64690
_cell_angle_gamma 78.49357
_cell_volume 224.09390
_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 0.93331 0.53950 0.66779 1.00000
V1 V 0.02401 0.01910 0.02123 1.00000
V2 V 0.99137 0.98668 0.33920 1.00000
V3 V 0.03033 0.00990 0.66852 1.00000
V4 V 0.59013 0.58155 0.16823 1.00000
V5 V 0.43582 0.41920 0.85501 1.00000
V6 V 0.43290 0.42494 0.49100 1.00000
O1 O 0.16844 0.16063 0.16311 1.00000
O2 O 0.18472 0.22294 0.50126 1.00000
O3 O 0.15294 0.21361 0.83421 1.00000
O4 O 0.69908 0.30354 0.01451 1.00000
O5 O 0.69746 0.31519 0.33339 1.00000
O6 O 0.68223 0.30548 0.66768 1.00000
O7 O 0.32931 0.70130 0.00491 1.00000
O8 O 0.32673 0.69264 0.33412 1.00000
O9 O 0.28666 0.66068 0.66576 1.00000
O10 O 0.82105 0.80349 0.16581 1.00000
O11 O 0.84883 0.83853 0.51574 1.00000
F1 F 0.85079 0.81499 0.83851 1.00000
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