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Dy4Ho3Sn4

Alexandria ALEX

Alex-ID: agm003378221 · Space group: Immm (#71)

Basic Information

Formula
Dy4Ho3Sn4
Alex-ID
agm003378221
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
313.51
ų
Cell a
3.5376
Å
Cell b
9.5265
Å
Cell c
10.5998
Å
α angle
116.70
°
β angle
99.61
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Ho3Sn4
Dy
4.00 · 36.4%
Ho
3.00 · 27.3%
Sn
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1877
eV/atom
Formation energy
-0.5142
eV/atom
Corrected total energy
-53.8176
eV
Raw total energy
-53.8176
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
11.8086
Total magnetisation
-0.0022
μB

Additional Information

Prototype ID

A3B4C4_23_spg71

Decomposition

Dy5Ho5Sn6 DyHo8 Dy3Ho2Sn3

Computed at

2022-02-09 07:01:41.155117

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: agm003378221).

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 agm003378221
data_agm003378221
_cell_length_a     3.53760
_cell_length_b     9.52653
_cell_length_c     10.59981
_cell_angle_alpha  116.70345
_cell_angle_beta   99.60594
_cell_angle_gamma  90.00000
_cell_volume       313.50779
_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 0.33673 0.15503 0.67345 1.00000
  Dy2 Dy 0.66327 0.48158 0.32655 1.00000
  Dy3 Dy 0.66327 0.84497 0.32655 1.00000
  Dy4 Dy 0.33673 0.51842 0.67345 1.00000
  Ho1 Ho 0.09285 0.09285 0.18570 1.00000
  Ho2 Ho 0.90715 0.90715 0.81430 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
  Sn1 Sn 0.27107 0.77107 0.54213 1.00000
  Sn2 Sn 0.72893 0.22893 0.45787 1.00000
  Sn3 Sn 0.50000 0.77996 0.00000 1.00000
  Sn4 Sn 0.50000 0.22004 1.00000 1.00000
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