Mg2ZnMoO6
Alexandria ALEXAlex-ID: agm004950737 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
MgMoO4 ZnO MgO
2022-07-30 15:20:10.864338
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004950737).
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 agm004950737
data_agm004950737
_cell_length_a 5.23898
_cell_length_b 5.23915
_cell_length_c 5.69524
_cell_angle_alpha 62.60772
_cell_angle_beta 62.60969
_cell_angle_gamma 59.99596
_cell_volume 114.69212
_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 0.51829 0.51829 0.44503 1.00000
Mg2 Mg 0.02219 0.02217 0.93356 1.00000
Zn1 Zn 0.76830 0.76835 0.69506 1.00000
Mo1 Mo 0.31628 0.31627 0.05118 1.00000
O1 O 0.58499 0.25372 0.21386 1.00000
O2 O 0.25374 0.94741 0.21383 1.00000
O3 O 0.94739 0.58498 0.21381 1.00000
O4 O 0.40628 0.71148 0.74960 1.00000
O5 O 0.71150 0.13263 0.74963 1.00000
O6 O 0.13263 0.40629 0.74962 1.00000
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