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DyMnOs

Alexandria ALEX

Alex-ID: agm005691930 · Space group: Imma (#74)

Alexandria Database API

Basic Information

Formula
DyMnOs
Alex-ID
agm005691930
Elements
3
Sites
6
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
105.24
ų
Cell a
5.3295
Å
Cell b
5.3127
Å
Cell c
5.3127
Å
α angle
58.84
°
β angle
59.90
°
γ angle
59.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyMnOs
Dy
2.00 · 33.3%
Mn
2.00 · 33.3%
Os
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2109
eV/atom
Corrected total energy
-51.2717
eV
Raw total energy
-51.2717
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0163
eV
DOS at Fermi level
3.9233
Total magnetisation
5.0000
μB

Additional Information

Prototype ID

ABC_63_spg74

Decomposition

DyMnOs

Computed at

2023-06-17 20:21:21.306384

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691930).

Reference

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

BibTeX 
@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…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm005691930
data_agm005691930
_cell_length_a     5.32952
_cell_length_b     5.31275
_cell_length_c     5.31275
_cell_angle_alpha  58.83998
_cell_angle_beta   59.89554
_cell_angle_gamma  59.89554
_cell_volume       105.24040
_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 0.87257 0.37743 0.37743 1.00000
  Dy2 Dy 0.12743 0.62257 0.62257 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
  Mn2 Mn 0.50000 0.00000 0.00000 1.00000
  Os1 Os 0.50000 0.50000 0.00000 1.00000
  Os2 Os 0.50000 0.00000 0.50000 1.00000
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