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HoHf3(CoGe)4

Alexandria ALEX

Alex-ID: agm020847896 · Space group: Pm (#6)

Basic Information

Formula
HoHf3(CoGe)4
Alex-ID
agm020847896
Elements
4
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
188.99
ų
Cell a
4.0057
Å
Cell b
6.5632
Å
Cell c
7.1888
Å
α angle
89.56
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoHf3(CoGe)4
Ho
1.00 · 8.3%
Hf
3.00 · 25.0%
Co
4.00 · 33.3%
Ge
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0206
eV/atom
Formation energy
-0.6493
eV/atom
Corrected total energy
-89.1948
eV
Raw total energy
-89.1948
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
9.6898
Total magnetisation
0.0034
μB

Additional Information

Prototype ID

AB3C4D4_28_spg6

Decomposition

HoCoGe HfCoGe

Computed at

2024-11-07 05:03:17.012396

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: agm020847896).

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 agm020847896
data_agm020847896
_cell_length_a     4.00570
_cell_length_b     6.56319
_cell_length_c     7.18880
_cell_angle_alpha  89.55581
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       188.98916
_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 0.50000 0.49553 0.80094 1.00000
  Hf1 Hf 0.50000 0.99517 0.69787 1.00000
  Hf2 Hf 0.00000 0.50049 0.20819 1.00000
  Hf3 Hf 0.00000 0.00029 0.29941 1.00000
  Co1 Co 0.50000 0.34943 0.42215 1.00000
  Co2 Co 0.50000 0.85640 0.07276 1.00000
  Co3 Co 0.00000 0.65750 0.56430 1.00000
  Co4 Co 0.00000 0.14775 0.93504 1.00000
  Ge1 Ge 0.50000 0.21732 0.10819 1.00000
  Ge2 Ge 0.50000 0.72244 0.39347 1.00000
  Ge3 Ge 0.00000 0.78474 0.89964 1.00000
  Ge4 Ge 0.00000 0.27294 0.59805 1.00000
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