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Ho3TmIn4

Alexandria ALEX

Alex-ID: agm017275140 · Space group: I4/mmm (#139)

Basic Information

Formula
Ho3TmIn4
Alex-ID
agm017275140
Elements
3
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
208.76
ų
Cell a
8.4092
Å
Cell b
8.4092
Å
Cell c
8.4092
Å
α angle
143.54
°
β angle
143.54
°
γ angle
52.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3TmIn4
Ho
3.00 · 37.5%
Tm
1.00 · 12.5%
In
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0054
eV/atom
Formation energy
-0.4269
eV/atom
Corrected total energy
-32.7011
eV
Raw total energy
-32.7011
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0091
eV
DOS at Fermi level
4.8005
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_1590_spg1

Decomposition

Ho2TmIn3 HoIn

Computed at

2024-11-15 01:10:23.760614

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: agm017275140).

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 agm017275140
data_agm017275140
_cell_length_a     8.40922
_cell_length_b     8.40922
_cell_length_c     8.40922
_cell_angle_alpha  143.53988
_cell_angle_beta   143.53988
_cell_angle_gamma  52.51589
_cell_volume       208.76311
_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 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.24922 0.24922 0.00000 1.00000
  Ho3 Ho 0.75078 0.75078 0.00000 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  In1 In 0.87571 0.37571 0.50000 1.00000
  In2 In 0.12429 0.62429 0.50000 1.00000
  In3 In 0.62429 0.12429 0.50000 1.00000
  In4 In 0.37571 0.87571 0.50000 1.00000
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