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Ho2CrCo2Ge5

Alexandria ALEX

Alex-ID: agm044843098 · Space group: C2/c (#15)

Basic Information

Formula
Ho2CrCo2Ge5
Alex-ID
agm044843098
Elements
4
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
328.76
ų
Cell a
8.1583
Å
Cell b
8.1583
Å
Cell c
5.6275
Å
α angle
71.51
°
β angle
71.51
°
γ angle
95.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2CrCo2Ge5
Ho
4.00 · 20.0%
Cr
2.00 · 10.0%
Co
4.00 · 20.0%
Ge
10.00 · 50.0%

Energy & Stability

Energy above hull
0.0268
eV/atom
Formation energy
-0.5124
eV/atom
Corrected total energy
-122.4773
eV
Raw total energy
-122.4772
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0091
eV
DOS at Fermi level
8.8298
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Ho2Co3Ge5 HoCoGe3 Ho5(Co2Ge5)2 Cr3Ge

Computed at

2024-10-03 17:40:06.859527

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: agm044843098).

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 agm044843098
data_agm044843098
_cell_length_a     8.15825
_cell_length_b     8.15825
_cell_length_c     5.62755
_cell_angle_alpha  71.51114
_cell_angle_beta   71.51114
_cell_angle_gamma  95.49541
_cell_volume       328.76235
_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 0.12624 0.40620 0.23980 1.00000
  Ho2 Ho 0.59380 0.87376 0.26020 1.00000
  Ho3 Ho 0.87376 0.59380 0.76020 1.00000
  Ho4 Ho 0.40620 0.12624 0.73980 1.00000
  Cr1 Cr 0.99672 0.00328 0.25000 1.00000
  Cr2 Cr 0.00328 0.99672 0.75000 1.00000
  Co1 Co 0.73311 0.44878 0.37896 1.00000
  Co2 Co 0.55122 0.26689 0.12104 1.00000
  Co3 Co 0.26689 0.55122 0.62104 1.00000
  Co4 Co 0.44878 0.73311 0.87896 1.00000
  Ge1 Ge 0.91285 0.72843 0.18240 1.00000
  Ge2 Ge 0.27157 0.08715 0.31760 1.00000
  Ge3 Ge 0.08715 0.27157 0.81760 1.00000
  Ge4 Ge 0.72843 0.91285 0.68240 1.00000
  Ge5 Ge 0.48977 0.51023 0.25000 1.00000
  Ge6 Ge 0.51023 0.48977 0.75000 1.00000
  Ge7 Ge 0.78978 0.21022 0.25000 1.00000
  Ge8 Ge 0.21022 0.78978 0.75000 1.00000
  Ge9 Ge 0.22655 0.77345 0.25000 1.00000
  Ge10 Ge 0.77345 0.22655 0.75000 1.00000
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