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HoMgNi3Sn4

Alexandria ALEX

Alex-ID: agm085770192 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
HoMgNi3Sn4
Alex-ID
agm085770192
Elements
4
Sites
9
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
190.31
ų
Cell a
5.4165
Å
Cell b
5.4165
Å
Cell c
7.4902
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMgNi3Sn4
Ho
1.00 · 11.1%
Mg
1.00 · 11.1%
Ni
3.00 · 33.3%
Sn
4.00 · 44.4%

Energy & Stability

Energy above hull
0.2199
eV/atom
Formation energy
-0.1839
eV/atom
Corrected total energy
-41.1914
eV
Raw total energy
-41.1914
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1693
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3D4_218_spg191

Decomposition

MgNi2Sn3 Ni6Sn5 HoNiSn2 MgNiSn

Computed at

2025-02-23 03:45:26

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: agm085770192).

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 agm085770192
data_agm085770192
_cell_length_a     5.41653
_cell_length_b     5.41653
_cell_length_c     7.49024
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       190.31283
_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
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Ni1 Ni 0.00000 0.50000 0.50000 1.00000
  Ni2 Ni 0.50000 0.00000 0.50000 1.00000
  Ni3 Ni 0.50000 0.50000 0.50000 1.00000
  Sn1 Sn 0.33333 0.66667 0.78749 1.00000
  Sn2 Sn 0.66667 0.33333 0.21251 1.00000
  Sn3 Sn 0.66667 0.33333 0.78749 1.00000
  Sn4 Sn 0.33333 0.66667 0.21251 1.00000
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