Dy4Mn7
Alexandria ALEXAlex-ID: agm012222271 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7_348_spg72
Mn Dy
2024-07-10 21:56:35.626272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012222271).
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 agm012222271
data_agm012222271
_cell_length_a 10.40726
_cell_length_b 10.40726
_cell_length_c 10.40726
_cell_angle_alpha 150.40032
_cell_angle_beta 130.87778
_cell_angle_gamma 58.40273
_cell_volume 417.90261
_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 0.27531 0.56128 0.71403 1.00000
Dy2 Dy 0.72469 0.43872 0.28597 1.00000
Dy3 Dy 0.15275 0.93872 0.21403 1.00000
Dy4 Dy 0.84725 0.06128 0.78597 1.00000
Dy5 Dy 0.46183 0.85536 0.60647 1.00000
Dy6 Dy 0.53817 0.14464 0.39353 1.00000
Dy7 Dy 0.75110 0.64464 0.10647 1.00000
Dy8 Dy 0.24890 0.35536 0.89353 1.00000
Mn1 Mn 0.79222 0.04222 0.25000 1.00000
Mn2 Mn 0.20778 0.45778 0.25000 1.00000
Mn3 Mn 0.20778 0.95778 0.75000 1.00000
Mn4 Mn 0.79222 0.54222 0.75000 1.00000
Mn5 Mn 0.50000 0.75000 0.25000 1.00000
Mn6 Mn 0.50000 0.25000 0.75000 1.00000
Mn7 Mn 0.81106 0.89657 0.91450 1.00000
Mn8 Mn 0.18894 0.10343 0.08550 1.00000
Mn9 Mn 0.01793 0.60343 0.41450 1.00000
Mn10 Mn 0.98207 0.39657 0.58550 1.00000
Mn11 Mn 0.51715 0.72691 0.79023 1.00000
Mn12 Mn 0.48285 0.27309 0.20977 1.00000
Mn13 Mn 0.93668 0.22691 0.70977 1.00000
Mn14 Mn 0.06332 0.77309 0.29023 1.00000
