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Ho8InAg2

Alexandria ALEX

Alex-ID: agm003535641 · Space group: C2/m (#12)

Basic Information

Formula
Ho8InAg2
Alex-ID
agm003535641
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
315.40
ų
Cell a
5.3965
Å
Cell b
8.3429
Å
Cell c
8.3429
Å
α angle
117.19
°
β angle
99.90
°
γ angle
99.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8InAg2
Ho
8.00 · 72.7%
In
1.00 · 9.1%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1444
eV/atom
Formation energy
-0.0681
eV/atom
Corrected total energy
-45.8494
eV
Raw total energy
-45.8494
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.4261
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C8_281_spg12

Decomposition

Ho2In Ho HoAg

Computed at

2022-03-13 14:12:56.564438

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: agm003535641).

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 agm003535641
data_agm003535641
_cell_length_a     5.39649
_cell_length_b     8.34288
_cell_length_c     8.34288
_cell_angle_alpha  117.18712
_cell_angle_beta   99.90287
_cell_angle_gamma  99.90287
_cell_volume       315.39665
_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 0.89784 0.90779 0.67420 1.00000
  Ho2 Ho 0.89784 0.67420 0.90779 1.00000
  Ho3 Ho 0.30406 0.60431 0.60431 1.00000
  Ho4 Ho 0.50000 0.77193 0.22807 1.00000
  Ho5 Ho 0.50000 0.22807 0.77193 1.00000
  Ho6 Ho 0.69594 0.39569 0.39569 1.00000
  Ho7 Ho 0.10216 0.32580 0.09221 1.00000
  Ho8 Ho 0.10216 0.09221 0.32580 1.00000
  In1 In 0.50000 0.00000 0.00000 1.00000
  Ag1 Ag 0.00000 0.30452 0.69548 1.00000
  Ag2 Ag 0.00000 0.69548 0.30452 1.00000
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