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Ho2Cr2Ge2C

Alexandria ALEX

Alex-ID: agm025082297 · Space group: I4/mmm (#139)

Basic Information

Formula
Ho2Cr2Ge2C
Alex-ID
agm025082297
Elements
4
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
115.58
ų
Cell a
7.7985
Å
Cell b
7.7985
Å
Cell c
7.7985
Å
α angle
150.38
°
β angle
150.38
°
γ angle
42.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Cr2Ge2C
Ho
2.00 · 28.6%
Cr
2.00 · 28.6%
Ge
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0353
eV/atom
Formation energy
-0.5092
eV/atom
Corrected total energy
-50.4269
eV
Raw total energy
-50.4269
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0016
eV
DOS at Fermi level
6.0382
Total magnetisation
0.7647
μB

Additional Information

Prototype ID

AB2C2D2_132_spg139

Decomposition

Cr3C2 Cr7C3 HoGe

Computed at

2025-04-30 04:29:07

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: agm025082297).

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 agm025082297
data_agm025082297
_cell_length_a     7.79850
_cell_length_b     7.79850
_cell_length_c     7.79850
_cell_angle_alpha  150.37867
_cell_angle_beta   150.37867
_cell_angle_gamma  42.38585
_cell_volume       115.58202
_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 0.16637 0.16637 0.00000 1.00000
  Ho2 Ho 0.83363 0.83363 0.00000 1.00000
  Cr1 Cr 0.50000 0.00000 0.50000 1.00000
  Cr2 Cr 0.00000 0.50000 0.50000 1.00000
  Ge1 Ge 0.38312 0.38312 0.00000 1.00000
  Ge2 Ge 0.61688 0.61688 0.00000 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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