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Ho7In6Ni5Ge3

Alexandria ALEX

Alex-ID: agm017223041 · Space group: P-6 (#174)

Alexandria Database API

Basic Information

Formula
Ho7In6Ni5Ge3
Alex-ID
agm017223041
Elements
4
Sites
21
Space group
P-6 (#174)
Crystal system
hexagonal
Volume
435.94
ų
Cell a
11.2211
Å
Cell b
11.2211
Å
Cell c
3.9978
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7In6Ni5Ge3
Ho
7.00 · 33.3%
In
6.00 · 28.6%
Ni
5.00 · 23.8%
Ge
3.00 · 14.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6212
eV/atom
Corrected total energy
-104.4832
eV
Raw total energy
-104.4832
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6295
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5C6D7_1_spg174

Decomposition

Ho7In6Ni5Ge3

Computed at

2024-11-17 02:47:20.073898

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: agm017223041).

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 agm017223041
data_agm017223041
_cell_length_a     11.22108
_cell_length_b     11.22108
_cell_length_c     3.99785
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       435.93956
_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 0.66667 0.33333 0.00000 1.00000
  Ho2 Ho 0.04317 0.42554 0.00000 1.00000
  Ho3 Ho 0.38238 0.95683 0.00000 1.00000
  Ho4 Ho 0.57446 0.61762 0.00000 1.00000
  Ho5 Ho 0.29290 0.25505 0.00000 1.00000
  Ho6 Ho 0.96216 0.70710 0.00000 1.00000
  Ho7 Ho 0.74495 0.03784 0.00000 1.00000
  In1 In 0.18057 0.69150 0.50000 1.00000
  In2 In 0.51092 0.81943 0.50000 1.00000
  In3 In 0.30850 0.48908 0.50000 1.00000
  In4 In 0.14946 0.97085 0.50000 1.00000
  In5 In 0.82139 0.85054 0.50000 1.00000
  In6 In 0.02915 0.17861 0.50000 1.00000
  Ni1 Ni 0.33333 0.66667 0.00000 1.00000
  Ni2 Ni 0.00000 0.00000 0.00000 1.00000
  Ni3 Ni 0.49758 0.41099 0.50000 1.00000
  Ni4 Ni 0.91341 0.50242 0.50000 1.00000
  Ni5 Ni 0.58901 0.08659 0.50000 1.00000
  Ge1 Ge 0.82388 0.26104 0.50000 1.00000
  Ge2 Ge 0.43716 0.17612 0.50000 1.00000
  Ge3 Ge 0.73896 0.56284 0.50000 1.00000
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