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Dy4Mn3

Alexandria ALEX

Alex-ID: agm010147137 · Space group: P2_1/m (#11)

Basic Information

Formula
Dy4Mn3
Alex-ID
agm010147137
Elements
2
Sites
14
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
340.65
ų
Cell a
3.9095
Å
Cell b
10.0133
Å
Cell c
9.9640
Å
α angle
60.85
°
β angle
90.02
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Mn3
Dy
8.00 · 57.1%
Mn
6.00 · 42.9%

Energy & Stability

Energy above hull
0.2003
eV/atom
Formation energy
0.2003
eV/atom
Corrected total energy
-89.0428
eV
Raw total energy
-89.0428
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
19.3055
Total magnetisation
4.0673
μB

Additional Information

Prototype ID

A3B4_183_spg194

Decomposition

Mn Dy

Computed at

2024-07-18 20:51:47.981130

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: agm010147137).

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 agm010147137
data_agm010147137
_cell_length_a     3.90949
_cell_length_b     10.01333
_cell_length_c     9.96404
_cell_angle_alpha  60.84587
_cell_angle_beta   90.02490
_cell_angle_gamma  90.02663
_cell_volume       340.64624
_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 0.25012 0.33353 0.02869 1.00000
  Dy2 Dy 0.74988 0.66647 0.97131 1.00000
  Dy3 Dy 0.24987 0.67671 0.67047 1.00000
  Dy4 Dy 0.74974 0.37753 0.67421 1.00000
  Dy5 Dy 0.24983 0.04438 0.62897 1.00000
  Dy6 Dy 0.75017 0.95562 0.37103 1.00000
  Dy7 Dy 0.25026 0.62247 0.32579 1.00000
  Dy8 Dy 0.75013 0.32329 0.32953 1.00000
  Mn1 Mn 0.75001 0.12865 0.03481 1.00000
  Mn2 Mn 0.24999 0.87135 0.96519 1.00000
  Mn3 Mn 0.24974 0.15956 0.85600 1.00000
  Mn4 Mn 0.74982 0.02145 0.86492 1.00000
  Mn5 Mn 0.25018 0.97855 0.13508 1.00000
  Mn6 Mn 0.75026 0.84044 0.14400 1.00000
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