Navigation

HEAS Data Platform · Materials Science Database

Ho4CoGe3

Alexandria ALEX

Alex-ID: agm003553040 · Space group: Pmm2 (#25)

Alexandria Database API

Basic Information

Formula
Ho4CoGe3
Alex-ID
agm003553040
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
174.87
ų
Cell a
4.1631
Å
Cell b
3.9577
Å
Cell c
10.6133
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4CoGe3
Ho
4.00 · 50.0%
Co
1.00 · 12.5%
Ge
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0877
eV/atom
Formation energy
-0.6859
eV/atom
Corrected total energy
-44.7772
eV
Raw total energy
-44.7772
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.7268
Total magnetisation
0.0060
μB

Additional Information

Prototype ID

AB3C4_77_spg25

Decomposition

Ho3CoGe2 Ho4Ge3 HoCoGe

Computed at

2022-03-22 09:42:16.255467

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: agm003553040).

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 agm003553040
data_agm003553040
_cell_length_a     4.16313
_cell_length_b     3.95769
_cell_length_c     10.61334
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       174.86953
_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 0.50000 0.34895 1.00000
  Ho2 Ho 0.00000 0.50000 0.86813 1.00000
  Ho3 Ho 0.00000 0.00000 0.13540 1.00000
  Ho4 Ho 0.50000 0.00000 0.64247 1.00000
  Co1 Co 0.50000 0.50000 0.07310 1.00000
  Ge1 Ge 0.00000 0.50000 0.58511 1.00000
  Ge2 Ge 0.00000 0.00000 0.41999 1.00000
  Ge3 Ge 0.50000 0.00000 0.92684 1.00000
Get direct link