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Ho8Ag6C

Alexandria ALEX

Alex-ID: agm072136395 · Space group: R-3 (#148)

Basic Information

Formula
Ho8Ag6C
Alex-ID
agm072136395
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
380.41
ų
Cell a
7.5165
Å
Cell b
7.5165
Å
Cell c
7.5165
Å
α angle
73.43
°
β angle
73.43
°
γ angle
73.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Ag6C
Ho
8.00 · 53.3%
Ag
6.00 · 40.0%
C
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1385
eV/atom
Formation energy
-0.1824
eV/atom
Corrected total energy
-65.6949
eV
Raw total energy
-65.6949
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0252
eV
DOS at Fermi level
14.4117
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

HoAg Ho2C

Computed at

2024-10-05 13:18:24.526918

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: agm072136395).

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 agm072136395
data_agm072136395
_cell_length_a     7.51649
_cell_length_b     7.51649
_cell_length_c     7.51649
_cell_angle_alpha  73.43137
_cell_angle_beta   73.43137
_cell_angle_gamma  73.43137
_cell_volume       380.40549
_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 0.69218 0.69218 0.69218 1.00000
  Ho2 Ho 0.30782 0.30782 0.30782 1.00000
  Ho3 Ho 0.13919 0.69080 0.91193 1.00000
  Ho4 Ho 0.69080 0.91193 0.13919 1.00000
  Ho5 Ho 0.91193 0.13919 0.69080 1.00000
  Ho6 Ho 0.86081 0.30920 0.08807 1.00000
  Ho7 Ho 0.30920 0.08807 0.86081 1.00000
  Ho8 Ho 0.08807 0.86081 0.30920 1.00000
  Ag1 Ag 0.90780 0.52511 0.34135 1.00000
  Ag2 Ag 0.52511 0.34135 0.90780 1.00000
  Ag3 Ag 0.34135 0.90780 0.52511 1.00000
  Ag4 Ag 0.09220 0.47489 0.65865 1.00000
  Ag5 Ag 0.47489 0.65865 0.09220 1.00000
  Ag6 Ag 0.65865 0.09220 0.47489 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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