Cr(MoOs3)2
Alexandria ALEXAlex-ID: agm005772397 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2025_spg15
MoOs3 Cr
2023-07-06 22:36:05.698615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772397).
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 agm005772397
data_agm005772397
_cell_length_a 5.20871
_cell_length_b 7.49821
_cell_length_c 7.49821
_cell_angle_alpha 68.05881
_cell_angle_beta 80.88026
_cell_angle_gamma 80.88026
_cell_volume 266.62415
_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
Cr1 Cr 0.25000 0.08138 0.91862 1.00000
Cr2 Cr 0.75000 0.91862 0.08138 1.00000
Mo1 Mo 0.08934 0.70602 0.65926 1.00000
Mo2 Mo 0.41066 0.34074 0.29398 1.00000
Mo3 Mo 0.91066 0.29398 0.34074 1.00000
Mo4 Mo 0.58934 0.65926 0.70602 1.00000
Os1 Os 0.49765 0.66169 0.34907 1.00000
Os2 Os 0.00235 0.65093 0.33831 1.00000
Os3 Os 0.50235 0.33831 0.65093 1.00000
Os4 Os 0.99765 0.34907 0.66169 1.00000
Os5 Os 0.70324 0.96792 0.38793 1.00000
Os6 Os 0.79676 0.61207 0.03208 1.00000
Os7 Os 0.29676 0.03208 0.61207 1.00000
Os8 Os 0.20324 0.38793 0.96792 1.00000
Os9 Os 0.28237 0.74172 0.00679 1.00000
Os10 Os 0.21763 0.99321 0.25828 1.00000
Os11 Os 0.71763 0.25828 0.99321 1.00000
Os12 Os 0.78237 0.00679 0.74172 1.00000
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