Li3In2MoO6
Alexandria ALEXAlex-ID: agm040320106 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
LiInO2 InO Li2MoO3
2024-12-19 06:13:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040320106).
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 agm040320106
data_agm040320106
_cell_length_a 5.55959
_cell_length_b 5.55959
_cell_length_c 5.36248
_cell_angle_alpha 80.11725
_cell_angle_beta 99.88275
_cell_angle_gamma 59.94081
_cell_volume 134.72453
_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
Li1 Li 0.16217 0.16217 0.50000 1.00000
Li2 Li 0.83783 0.83783 0.50000 1.00000
Li3 Li 0.50000 0.50000 0.50000 1.00000
In1 In 0.33310 0.33310 0.00000 1.00000
In2 In 0.66690 0.66690 0.00000 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
O1 O 0.40816 0.92064 0.23872 1.00000
O2 O 0.24991 0.75009 0.76119 1.00000
O3 O 0.59184 0.07936 0.76128 1.00000
O4 O 0.07936 0.59184 0.23872 1.00000
O5 O 0.75009 0.24991 0.23881 1.00000
O6 O 0.92064 0.40816 0.76128 1.00000
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