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Ho3In2Tc

Alexandria ALEX

Alex-ID: agm038984656 · Space group: Cmmm (#65)

Basic Information

Formula
Ho3In2Tc
Alex-ID
agm038984656
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
144.60
ų
Cell a
5.1782
Å
Cell b
3.6482
Å
Cell c
8.0676
Å
α angle
90.00
°
β angle
108.42
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3In2Tc
Ho
3.00 · 50.0%
In
2.00 · 33.3%
Tc
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0511
eV/atom
Formation energy
-0.3106
eV/atom
Corrected total energy
-31.5044
eV
Raw total energy
-31.5044
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0155
eV
DOS at Fermi level
3.9038
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_871_spg71

Decomposition

Ho5In4 HoTc2

Computed at

2025-04-14 13:59:58

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: agm038984656).

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 agm038984656
data_agm038984656
_cell_length_a     5.17824
_cell_length_b     3.64819
_cell_length_c     8.06757
_cell_angle_alpha  90.00000
_cell_angle_beta   108.41799
_cell_angle_gamma  90.00000
_cell_volume       144.59923
_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 0.50000 1.00000
  Ho2 Ho 0.14487 0.50000 0.79433 1.00000
  Ho3 Ho 0.85513 0.50000 0.20567 1.00000
  In1 In 0.66914 0.00000 0.84479 1.00000
  In2 In 0.33086 0.00000 0.15521 1.00000
  Tc1 Tc 0.00000 0.00000 0.50000 1.00000
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