DyTm2MoO6
Alexandria ALEXAlex-ID: agm004953136 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Tm3MoO6 Dy3MoO6
2022-07-30 18:20:10.633727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004953136).
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 agm004953136
data_agm004953136
_cell_length_a 5.67178
_cell_length_b 5.67209
_cell_length_c 5.98206
_cell_angle_alpha 61.66952
_cell_angle_beta 61.67065
_cell_angle_gamma 60.01533
_cell_volume 139.43250
_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
Dy1 Dy 0.80701 0.80692 0.57926 1.00000
Tm1 Tm 0.52661 0.52657 0.42012 1.00000
Tm2 Tm 0.02019 0.02019 0.93926 1.00000
Mo1 Mo 0.31771 0.31775 0.04684 1.00000
O1 O 0.61239 0.21170 0.25186 1.00000
O2 O 0.21180 0.92391 0.25177 1.00000
O3 O 0.92412 0.61232 0.25202 1.00000
O4 O 0.41230 0.70502 0.75788 1.00000
O5 O 0.70481 0.12469 0.75805 1.00000
O6 O 0.12466 0.41253 0.75814 1.00000
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