ErMoO4
Alexandria ALEXAlex-ID: agm005756359 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1132_spg11
Er2(MoO4)3 Er6MoO12 MoO2
2023-07-30 22:44:29.689366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756359).
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 agm005756359
data_agm005756359
_cell_length_a 4.08917
_cell_length_b 6.27228
_cell_length_c 7.23495
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.12536
_cell_volume 175.32232
_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 0.56379 0.62828 0.25000 1.00000
Er2 Er 0.43621 0.37172 0.75000 1.00000
Mo1 Mo 0.29090 0.07916 0.25000 1.00000
Mo2 Mo 0.70910 0.92084 0.75000 1.00000
O1 O 0.12602 0.75227 0.25000 1.00000
O2 O 0.87398 0.24773 0.75000 1.00000
O3 O 0.76399 0.02676 0.25000 1.00000
O4 O 0.23601 0.97324 0.75000 1.00000
O5 O 0.59926 0.70072 0.93354 1.00000
O6 O 0.40074 0.29928 0.43354 1.00000
O7 O 0.59926 0.70072 0.56646 1.00000
O8 O 0.40074 0.29928 0.06646 1.00000
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