Y5Mg(MoO6)2
Alexandria ALEXAlex-ID: agm005287946 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D12_18_spg8
Y3MoO7 Y3MoO6 MgO MoO2
2024-10-14 10:42:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287946).
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 agm005287946
data_agm005287946
_cell_length_a 6.12469
_cell_length_b 6.57503
_cell_length_c 7.86376
_cell_angle_alpha 104.26307
_cell_angle_beta 95.56233
_cell_angle_gamma 112.08838
_cell_volume 277.97774
_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
Y1 Y 0.52342 0.97864 0.50859 1.00000
Y2 Y 0.21354 0.33341 0.78239 1.00000
Y3 Y 0.75023 0.60399 0.19179 1.00000
Y4 Y 0.79445 0.58030 0.66326 1.00000
Y5 Y 0.16504 0.33947 0.36072 1.00000
Mg1 Mg 0.22613 0.62114 0.13429 1.00000
Mo1 Mo 0.72563 0.98492 0.98779 1.00000
Mo2 Mo 0.24044 0.98877 0.99664 1.00000
O1 O 0.96566 0.98795 0.80436 1.00000
O2 O 0.98709 0.96491 0.17345 1.00000
O3 O 0.49440 0.93699 0.18291 1.00000
O4 O 0.48288 0.00578 0.81003 1.00000
O5 O 0.62271 0.67225 0.44298 1.00000
O6 O 0.91091 0.28562 0.55465 1.00000
O7 O 0.40717 0.27846 0.56212 1.00000
O8 O 0.34509 0.36511 0.09625 1.00000
O9 O 0.09781 0.62093 0.89385 1.00000
O10 O 0.60890 0.62977 0.89866 1.00000
O11 O 0.87863 0.32596 0.11737 1.00000
O12 O 0.15363 0.69005 0.38254 1.00000
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