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Ho11Ge10

Alexandria ALEX

Alex-ID: agm006221850 · Space group: I4/mmm (#139)

Basic Information

Formula
Ho11Ge10
Alex-ID
agm006221850
Elements
2
Sites
42
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
967.99
ų
Cell a
11.2255
Å
Cell b
11.2255
Å
Cell c
11.2255
Å
α angle
122.01
°
β angle
122.01
°
γ angle
86.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho11Ge10
Ho
22.00 · 52.4%
Ge
20.00 · 47.6%

Energy & Stability

Energy above hull
0.0160
eV/atom
Formation energy
-0.8456
eV/atom
Corrected total energy
-228.5918
eV
Raw total energy
-228.5918
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.1554
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A10B11_0_spg139

Decomposition

Ho4Ge3 HoGe

Computed at

2024-08-25 00:19:00.194580

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: agm006221850).

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 agm006221850
data_agm006221850
_cell_length_a     11.22555
_cell_length_b     11.22555
_cell_length_c     11.22555
_cell_angle_alpha  122.00804
_cell_angle_beta   122.00804
_cell_angle_gamma  86.55580
_cell_volume       967.98532
_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 0.55805 0.81005 0.74800 1.00000
  Ho2 Ho 0.06205 0.81005 0.25200 1.00000
  Ho3 Ho 0.81005 0.06205 0.25200 1.00000
  Ho4 Ho 0.81005 0.55805 0.74800 1.00000
  Ho5 Ho 0.44195 0.18995 0.25200 1.00000
  Ho6 Ho 0.93795 0.18995 0.74800 1.00000
  Ho7 Ho 0.18995 0.93795 0.74800 1.00000
  Ho8 Ho 0.18995 0.44195 0.25200 1.00000
  Ho9 Ho 0.82357 0.17643 0.00000 1.00000
  Ho10 Ho 0.17643 0.82357 0.00000 1.00000
  Ho11 Ho 0.17643 0.17643 0.35287 1.00000
  Ho12 Ho 0.82357 0.82357 0.64713 1.00000
  Ho13 Ho 0.66054 0.66054 0.00000 1.00000
  Ho14 Ho 0.33946 0.33946 0.00000 1.00000
  Ho15 Ho 0.27756 0.60221 0.67535 1.00000
  Ho16 Ho 0.92686 0.60221 0.32465 1.00000
  Ho17 Ho 0.60221 0.92686 0.32465 1.00000
  Ho18 Ho 0.60221 0.27756 0.67535 1.00000
  Ho19 Ho 0.72244 0.39779 0.32465 1.00000
  Ho20 Ho 0.07314 0.39779 0.67535 1.00000
  Ho21 Ho 0.39779 0.07314 0.67535 1.00000
  Ho22 Ho 0.39779 0.72244 0.32465 1.00000
  Ge1 Ge 0.00000 0.35944 0.35944 1.00000
  Ge2 Ge 0.00000 0.64056 0.64056 1.00000
  Ge3 Ge 0.35944 0.00000 0.35944 1.00000
  Ge4 Ge 0.64056 0.00000 0.64056 1.00000
  Ge5 Ge 0.88758 0.88758 0.00000 1.00000
  Ge6 Ge 0.11242 0.11242 0.00000 1.00000
  Ge7 Ge 0.62061 0.37939 0.00000 1.00000
  Ge8 Ge 0.37939 0.62061 0.00000 1.00000
  Ge9 Ge 0.37939 0.37939 0.75879 1.00000
  Ge10 Ge 0.62061 0.62061 0.24121 1.00000
  Ge11 Ge 0.25000 0.75000 0.50000 1.00000
  Ge12 Ge 0.75000 0.25000 0.50000 1.00000
  Ge13 Ge 0.47208 0.89037 0.00000 1.00000
  Ge14 Ge 0.89037 0.47208 0.00000 1.00000
  Ge15 Ge 0.89037 0.89037 0.41829 1.00000
  Ge16 Ge 0.47208 0.47208 0.58171 1.00000
  Ge17 Ge 0.52792 0.10963 0.00000 1.00000
  Ge18 Ge 0.10963 0.52792 0.00000 1.00000
  Ge19 Ge 0.10963 0.10963 0.58171 1.00000
  Ge20 Ge 0.52792 0.52792 0.41829 1.00000
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