DyMoO4
Alexandria ALEXAlex-ID: agm005756375 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1184_spg141
DyMoO4
2023-08-05 03:00:17.336853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756375).
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 agm005756375
data_agm005756375
_cell_length_a 6.13961
_cell_length_b 6.13966
_cell_length_c 6.13937
_cell_angle_alpha 72.64904
_cell_angle_beta 72.64904
_cell_angle_gamma 113.80263
_cell_volume 177.37668
_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 0.87499 0.62498 0.25002 1.00000
Dy2 Dy 0.12501 0.37500 0.74998 1.00000
Mo1 Mo 0.62499 0.87498 0.75001 1.00000
Mo2 Mo 0.37501 0.12500 0.24999 1.00000
O1 O 0.24828 0.68571 0.93738 1.00000
O2 O 0.62306 0.68565 0.56262 1.00000
O3 O 0.18567 0.12309 0.06261 1.00000
O4 O 0.75172 0.31428 0.06261 1.00000
O5 O 0.18566 0.74827 0.43739 1.00000
O6 O 0.81434 0.87689 0.93738 1.00000
O7 O 0.37694 0.31432 0.43739 1.00000
O8 O 0.81433 0.25172 0.56262 1.00000
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