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Ho6Ge2C

Alexandria ALEX

Alex-ID: agm003486986 · Space group: P4_2/mnm (#136)

Basic Information

Formula
Ho6Ge2C
Alex-ID
agm003486986
Elements
3
Sites
18
Space group
P4_2/mnm (#136)
Crystal system
tetragonal
Volume
498.95
ų
Cell a
6.3932
Å
Cell b
6.3932
Å
Cell c
12.2074
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Ge2C
Ho
12.00 · 66.7%
Ge
4.00 · 22.2%
C
2.00 · 11.1%

Energy & Stability

Energy above hull
0.2549
eV/atom
Formation energy
-0.3216
eV/atom
Corrected total energy
-97.6483
eV
Raw total energy
-97.6483
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0162
eV
DOS at Fermi level
17.3261
Total magnetisation
4.5919
μB

Additional Information

Prototype ID

AB2C6_458_spg136

Decomposition

Ho5Ge3 Ho Ho2C

Computed at

2022-02-23 16:54:35.818672

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: agm003486986).

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 agm003486986
data_agm003486986
_cell_length_a     6.39321
_cell_length_b     6.39321
_cell_length_c     12.20735
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       498.95242
_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 0.30907 0.30907 0.35728 1.00000
  Ho2 Ho 0.69093 0.69093 0.35728 1.00000
  Ho3 Ho 0.19093 0.80907 0.85728 1.00000
  Ho4 Ho 0.80907 0.19093 0.85728 1.00000
  Ho5 Ho 0.19093 0.80907 0.14272 1.00000
  Ho6 Ho 0.80907 0.19093 0.14272 1.00000
  Ho7 Ho 0.30907 0.30907 0.64272 1.00000
  Ho8 Ho 0.69093 0.69093 0.64272 1.00000
  Ho9 Ho 0.27903 0.27903 0.00000 1.00000
  Ho10 Ho 0.72097 0.72097 0.00000 1.00000
  Ho11 Ho 0.22097 0.77903 0.50000 1.00000
  Ho12 Ho 0.77903 0.22097 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.32817 1.00000
  Ge2 Ge 0.50000 0.50000 0.82817 1.00000
  Ge3 Ge 0.50000 0.50000 0.17183 1.00000
  Ge4 Ge 0.00000 0.00000 0.67183 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
  C2 C 0.50000 0.50000 0.50000 1.00000
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