Er6MoO12
Alexandria ALEXAlex-ID: agm005258588 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_361_spg2
Er6MoO12
2023-05-07 23:25:10.432063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258588).
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 agm005258588
data_agm005258588
_cell_length_a 5.24178
_cell_length_b 7.28157
_cell_length_c 8.83373
_cell_angle_alpha 99.01299
_cell_angle_beta 93.23471
_cell_angle_gamma 103.18462
_cell_volume 322.73563
_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
Er1 Er 0.55297 0.29813 0.05053 1.00000
Er2 Er 0.44703 0.70187 0.94947 1.00000
Er3 Er 0.57710 0.10007 0.34147 1.00000
Er4 Er 0.42290 0.89993 0.65853 1.00000
Er5 Er 0.09755 0.61283 0.25064 1.00000
Er6 Er 0.90245 0.38717 0.74936 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
O1 O 0.05049 0.75163 0.04649 1.00000
O2 O 0.94951 0.24837 0.95351 1.00000
O3 O 0.30416 0.02664 0.88069 1.00000
O4 O 0.69584 0.97336 0.11931 1.00000
O5 O 0.23883 0.13106 0.17886 1.00000
O6 O 0.76117 0.86894 0.82114 1.00000
O7 O 0.28806 0.85590 0.41815 1.00000
O8 O 0.71194 0.14410 0.58185 1.00000
O9 O 0.42199 0.55382 0.14487 1.00000
O10 O 0.57801 0.44618 0.85513 1.00000
O11 O 0.79009 0.36857 0.28000 1.00000
O12 O 0.20991 0.63143 0.72000 1.00000
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