Navigation

HEAS Data Platform · Materials Science Database

Ho4InTc

Alexandria ALEX

Alex-ID: agm070136020 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Ho4InTc
Alex-ID
agm070136020
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
326.34
ų
Cell a
8.5841
Å
Cell b
8.5841
Å
Cell c
6.2058
Å
α angle
73.82
°
β angle
73.82
°
γ angle
120.45
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4InTc
Ho
8.00 · 66.7%
In
2.00 · 16.7%
Tc
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2549
eV/atom
Corrected total energy
-65.9586
eV
Raw total energy
-65.9586
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0973
eV
DOS at Fermi level
11.1259
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1_spg15

Decomposition

Ho4InTc

Computed at

2024-08-05 03:44:36.392843

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: agm070136020).

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 agm070136020
data_agm070136020
_cell_length_a     8.58408
_cell_length_b     8.58408
_cell_length_c     6.20580
_cell_angle_alpha  73.82383
_cell_angle_beta   73.82383
_cell_angle_gamma  120.44951
_cell_volume       326.33610
_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 0.86971 0.64069 0.68430 1.00000
  Ho2 Ho 0.64069 0.86971 0.68430 1.00000
  Ho3 Ho 0.82651 0.17349 0.00000 1.00000
  Ho4 Ho 0.68098 0.68098 0.22578 1.00000
  Ho5 Ho 0.31902 0.31902 0.77422 1.00000
  Ho6 Ho 0.17349 0.82651 0.00000 1.00000
  Ho7 Ho 0.35931 0.13029 0.31570 1.00000
  Ho8 Ho 0.13029 0.35931 0.31570 1.00000
  In1 In 0.29841 0.70159 0.50000 1.00000
  In2 In 0.70159 0.29841 0.50000 1.00000
  Tc1 Tc 0.00322 0.00322 0.74570 1.00000
  Tc2 Tc 0.99678 0.99678 0.25430 1.00000
Get direct link