Mg(MoO2)4
Alexandria ALEXAlex-ID: agm005242544 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_7_spg8
MoO2 Mo MgO
2023-05-06 14:18:16.496758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242544).
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 agm005242544
data_agm005242544
_cell_length_a 3.21145
_cell_length_b 7.73734
_cell_length_c 7.84215
_cell_angle_alpha 97.26779
_cell_angle_beta 101.52830
_cell_angle_gamma 101.37347
_cell_volume 184.36867
_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 0.47050 0.78887 0.15112 1.00000
Mo1 Mo 0.80986 0.42977 0.16557 1.00000
Mo2 Mo 0.67279 0.79205 0.51888 1.00000
Mo3 Mo 0.31927 0.16644 0.47296 1.00000
Mo4 Mo 0.16392 0.51536 0.80885 1.00000
O1 O 0.53775 0.40940 0.65406 1.00000
O2 O 0.78597 0.24683 0.31820 1.00000
O3 O 0.20586 0.72970 0.65926 1.00000
O4 O 0.46550 0.58594 0.30181 1.00000
O5 O 0.16898 0.33912 0.00694 1.00000
O6 O 0.11557 0.88529 0.33073 1.00000
O7 O 0.82713 0.65072 0.00483 1.00000
O8 O 0.82570 0.05172 0.59744 1.00000
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