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YHo7In4

Alexandria ALEX

Alex-ID: agm003665239 · Space group: C2/m (#12)

Basic Information

Formula
YHo7In4
Alex-ID
agm003665239
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
352.41
ų
Cell a
5.6325
Å
Cell b
9.2156
Å
Cell c
7.7546
Å
α angle
75.28
°
β angle
68.71
°
γ angle
72.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo7In4
Y
1.00 · 8.3%
Ho
7.00 · 58.3%
In
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2760
eV/atom
Formation energy
-0.0738
eV/atom
Corrected total energy
-50.4768
eV
Raw total energy
-50.4768
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0213
eV
DOS at Fermi level
12.8970
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_87_spg12

Decomposition

Ho2In Y2In

Computed at

2022-04-20 18:58:18.162893

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: agm003665239).

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 agm003665239
data_agm003665239
_cell_length_a     5.63246
_cell_length_b     9.21559
_cell_length_c     7.75462
_cell_angle_alpha  75.27729
_cell_angle_beta   68.70511
_cell_angle_gamma  72.20608
_cell_volume       352.41144
_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 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.78841 0.87719 0.54598 1.00000
  Ho2 Ho 0.21159 0.12281 0.45402 1.00000
  Ho3 Ho 0.06355 0.60313 0.26977 1.00000
  Ho4 Ho 0.93645 0.39687 0.73023 1.00000
  Ho5 Ho 0.27975 0.66128 0.77923 1.00000
  Ho6 Ho 0.50000 0.00000 0.00000 1.00000
  Ho7 Ho 0.72025 0.33872 0.22077 1.00000
  In1 In 0.56061 0.24312 0.63565 1.00000
  In2 In 0.43939 0.75688 0.36435 1.00000
  In3 In 0.68122 0.66553 0.97203 1.00000
  In4 In 0.31878 0.33447 0.02797 1.00000
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