Al2Mo2O7
Alexandria ALEXAlex-ID: agm005264638 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1091_spg1
MoO2 Al2O3
2023-05-09 07:36:53.615285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005264638).
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 agm005264638
data_agm005264638
_cell_length_a 6.56995
_cell_length_b 7.52244
_cell_length_c 6.56358
_cell_angle_alpha 71.41513
_cell_angle_beta 68.80951
_cell_angle_gamma 71.01709
_cell_volume 278.46216
_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
Al1 Al 0.94398 0.46149 0.54662 1.00000
Al2 Al 0.94299 0.60175 0.96384 1.00000
Al3 Al 0.06912 0.86340 0.43132 1.00000
Al4 Al 0.55759 0.57923 0.43856 1.00000
Mo1 Mo 0.52652 0.94925 0.01683 1.00000
Mo2 Mo 0.44788 0.12394 0.46022 1.00000
Mo3 Mo 0.50760 0.46185 0.01572 1.00000
Mo4 Mo 0.96649 0.08664 0.98835 1.00000
O1 O 0.85413 0.56705 0.28704 1.00000
O2 O 0.01658 0.64234 0.61617 1.00000
O3 O 0.10525 0.21271 0.60290 1.00000
O4 O 0.44896 0.18104 0.14338 1.00000
O5 O 0.19895 0.92509 0.12474 1.00000
O6 O 0.22632 0.56086 0.95984 1.00000
O7 O 0.49961 0.09587 0.73862 1.00000
O8 O 0.64962 0.46162 0.68225 1.00000
O9 O 0.63062 0.68748 0.98602 1.00000
O10 O 0.38354 0.82897 0.42823 1.00000
O11 O 0.87215 0.36511 0.97614 1.00000
O12 O 0.81313 0.01454 0.34451 1.00000
O13 O 0.45688 0.42290 0.35624 1.00000
O14 O 0.88208 0.90688 0.89245 1.00000
