Dy3Mn2H
Alexandria ALEXAlex-ID: agm006389697 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_7_spg15
Dy Mn DyH2
2024-06-24 12:09:16.473060
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006389697).
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 agm006389697
data_agm006389697
_cell_length_a 6.62025
_cell_length_b 6.62025
_cell_length_c 7.05351
_cell_angle_alpha 80.97684
_cell_angle_beta 80.97684
_cell_angle_gamma 54.66357
_cell_volume 248.22521
_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 0.40868 0.59132 0.75000 1.00000
Dy2 Dy 0.59132 0.40868 0.25000 1.00000
Dy3 Dy 0.74190 0.96642 0.64929 1.00000
Dy4 Dy 0.03358 0.25810 0.85071 1.00000
Dy5 Dy 0.96642 0.74190 0.14929 1.00000
Dy6 Dy 0.25810 0.03358 0.35071 1.00000
Mn1 Mn 0.45035 0.20325 0.00954 1.00000
Mn2 Mn 0.20325 0.45035 0.50954 1.00000
Mn3 Mn 0.79675 0.54965 0.49046 1.00000
Mn4 Mn 0.54965 0.79675 0.99046 1.00000
H1 H 0.94582 0.05418 0.25000 1.00000
H2 H 0.05418 0.94582 0.75000 1.00000
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