Yb6MoO12
Alexandria ALEXAlex-ID: agm005221304 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_738_spg2
Yb2O3 YbO6 YbMoO4
2024-10-14 21:47:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221304).
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
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# CIF generated by HEAS from Alexandria entry agm005221304
data_agm005221304
_cell_length_a 9.85288
_cell_length_b 8.35405
_cell_length_c 8.71389
_cell_angle_alpha 138.10890
_cell_angle_beta 117.14353
_cell_angle_gamma 46.75156
_cell_volume 346.69883
_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
Yb1 Yb 0.11995 0.80324 0.25571 1.00000
Yb2 Yb 0.88005 0.19676 0.74429 1.00000
Yb3 Yb 0.64755 0.09485 0.23237 1.00000
Yb4 Yb 0.35245 0.90515 0.76763 1.00000
Yb5 Yb 0.94252 0.52542 0.68524 1.00000
Yb6 Yb 0.05748 0.47458 0.31476 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
O1 O 0.92838 0.82431 0.68208 1.00000
O2 O 0.07162 0.17569 0.31792 1.00000
O3 O 0.17724 0.61530 0.90179 1.00000
O4 O 0.82276 0.38470 0.09821 1.00000
O5 O 0.82870 0.00481 0.06828 1.00000
O6 O 0.17130 0.99519 0.93172 1.00000
O7 O 0.66490 0.65822 0.85503 1.00000
O8 O 0.33510 0.34178 0.14497 1.00000
O9 O 0.66936 0.53708 0.60821 1.00000
O10 O 0.33064 0.46292 0.39179 1.00000
O11 O 0.89707 0.86221 0.34742 1.00000
O12 O 0.10293 0.13779 0.65258 1.00000
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