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Y6HoIn8

Alexandria ALEX

Alex-ID: agm072147072 · Space group: R-3 (#148)

Basic Information

Formula
Y6HoIn8
Alex-ID
agm072147072
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
433.34
ų
Cell a
7.9523
Å
Cell b
7.9523
Å
Cell c
7.9523
Å
α angle
70.61
°
β angle
70.61
°
γ angle
70.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y6HoIn8
Y
6.00 · 40.0%
Ho
1.00 · 6.7%
In
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1563
eV/atom
Formation energy
-0.3183
eV/atom
Corrected total energy
-70.2881
eV
Raw total energy
-70.2881
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.8226
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_38_spg148

Decomposition

Y5HoIn6 YHo2In3 Y3In5

Computed at

2024-10-08 11:28:30.366299

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: agm072147072).

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 agm072147072
data_agm072147072
_cell_length_a     7.95230
_cell_length_b     7.95230
_cell_length_c     7.95230
_cell_angle_alpha  70.60922
_cell_angle_beta   70.60922
_cell_angle_gamma  70.60922
_cell_volume       433.33919
_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
  Y1 Y 0.16617 0.65288 0.40987 1.00000
  Y2 Y 0.40987 0.16617 0.65288 1.00000
  Y3 Y 0.65288 0.40987 0.16617 1.00000
  Y4 Y 0.83383 0.34712 0.59013 1.00000
  Y5 Y 0.59013 0.83383 0.34712 1.00000
  Y6 Y 0.34712 0.59013 0.83383 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  In1 In 0.28186 0.28186 0.28186 1.00000
  In2 In 0.71814 0.71814 0.71814 1.00000
  In3 In 0.84232 0.03294 0.42151 1.00000
  In4 In 0.42151 0.84232 0.03294 1.00000
  In5 In 0.03294 0.42151 0.84232 1.00000
  In6 In 0.15768 0.96706 0.57849 1.00000
  In7 In 0.57849 0.15768 0.96706 1.00000
  In8 In 0.96706 0.57849 0.15768 1.00000
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