CsMoO3
Alexandria ALEXAlex-ID: agm003128564 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1789_spg11
Cs2MoO4 MoO2
2016-06-27 18:46:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003128564).
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 agm003128564
data_agm003128564
_cell_length_a 7.28734
_cell_length_b 4.17266
_cell_length_c 8.55493
_cell_angle_alpha 89.55196
_cell_angle_beta 114.73470
_cell_angle_gamma 89.99316
_cell_volume 236.25983
_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
Cs1 Cs 0.70208 0.86901 0.86629 1.00000
Cs2 Cs 0.14413 0.35975 0.44047 1.00000
Mo1 Mo 0.29015 0.36697 0.00536 1.00000
Mo2 Mo 0.55637 0.86196 0.30157 1.00000
O1 O 0.81446 0.86136 0.33032 1.00000
O2 O 0.47897 0.85924 0.47551 1.00000
O3 O 0.33856 0.86613 0.05456 1.00000
O4 O 0.03202 0.36753 0.97645 1.00000
O5 O 0.36765 0.36970 0.83146 1.00000
O6 O 0.50794 0.36280 0.25241 1.00000
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