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Dy4Er3Sb4

Alexandria ALEX

Alex-ID: agm003379477 · Space group: Immm (#71)

Basic Information

Formula
Dy4Er3Sb4
Alex-ID
agm003379477
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
314.48
ų
Cell a
4.0012
Å
Cell b
9.1040
Å
Cell c
9.9627
Å
α angle
117.19
°
β angle
101.58
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Er3Sb4
Dy
4.00 · 36.4%
Er
3.00 · 27.3%
Sb
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1492
eV/atom
Formation energy
-0.7356
eV/atom
Corrected total energy
-56.6844
eV
Raw total energy
-56.6843
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
10.9099
Total magnetisation
0.0009
μB

Additional Information

Prototype ID

A3B4C4_84_spg71

Decomposition

Dy3Er2Sb3 Er

Computed at

2022-02-09 06:19:45.255528

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: agm003379477).

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 agm003379477
data_agm003379477
_cell_length_a     4.00125
_cell_length_b     9.10397
_cell_length_c     9.96267
_cell_angle_alpha  117.18749
_cell_angle_beta   101.58444
_cell_angle_gamma  90.00000
_cell_volume       314.48277
_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 0.33172 0.15001 0.66344 1.00000
  Dy2 Dy 0.66828 0.48657 0.33656 1.00000
  Dy3 Dy 0.66828 0.84999 0.33656 1.00000
  Dy4 Dy 0.33172 0.51343 0.66344 1.00000
  Er1 Er 0.09886 0.09886 0.19773 1.00000
  Er2 Er 0.90114 0.90114 0.80227 1.00000
  Er3 Er 0.00000 0.50000 0.00000 1.00000
  Sb1 Sb 0.26698 0.76698 0.53396 1.00000
  Sb2 Sb 0.73302 0.23302 0.46604 1.00000
  Sb3 Sb 0.50000 0.79334 0.00000 1.00000
  Sb4 Sb 0.50000 0.20666 1.00000 1.00000
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