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HoInSn

Alexandria ALEX

Alex-ID: agm005656955 · Space group: Cmcm (#63)

Basic Information

Formula
HoInSn
Alex-ID
agm005656955
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
160.16
ų
Cell a
5.9252
Å
Cell b
6.3485
Å
Cell c
5.1869
Å
α angle
90.00
°
β angle
124.83
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoInSn
Ho
2.00 · 33.3%
In
2.00 · 33.3%
Sn
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2236
eV/atom
Formation energy
-0.2941
eV/atom
Corrected total energy
-24.4664
eV
Raw total energy
-24.4664
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1214
eV
DOS at Fermi level
3.7593
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_7752_spg40

Decomposition

Ho11(InSn4)2 HoIn3 HoSn2

Computed at

2023-06-17 16:55:17.314664

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: agm005656955).

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 agm005656955
data_agm005656955
_cell_length_a     5.92519
_cell_length_b     6.34850
_cell_length_c     5.18694
_cell_angle_alpha  90.00000
_cell_angle_beta   124.83147
_cell_angle_gamma  90.00000
_cell_volume       160.15523
_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 0.67650 0.75000 0.85301 1.00000
  Ho2 Ho 0.32350 0.25000 0.14699 1.00000
  In1 In 0.31549 0.75000 0.13098 1.00000
  In2 In 0.68451 0.25000 0.86902 1.00000
  Sn1 Sn 0.00000 0.50000 0.50000 1.00000
  Sn2 Sn 0.00000 0.00000 0.50000 1.00000
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