Navigation

HEAS Data Platform · Materials Science Database

NdHo2(CoGe)6

Alexandria ALEX

Alex-ID: agm020430751 · Space group: I4/mmm (#139)

Basic Information

Formula
NdHo2(CoGe)6
Alex-ID
agm020430751
Elements
4
Sites
15
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
240.85
ų
Cell a
15.4948
Å
Cell b
15.4948
Å
Cell c
15.4948
Å
α angle
165.26
°
β angle
165.26
°
γ angle
20.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
NdHo2(CoGe)6
Nd
1.00 · 6.7%
Ho
2.00 · 13.3%
Co
6.00 · 40.0%
Ge
6.00 · 40.0%

Energy & Stability

Energy above hull
0.0025
eV/atom
Formation energy
-0.5959
eV/atom
Corrected total energy
-93.3141
eV
Raw total energy
-93.3141
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0524
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

AB2C6D6_22_spg139

Decomposition

NdHo(CoGe)4 Ho(CoGe)2

Computed at

2024-12-05 03:46:34

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: agm020430751).

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 agm020430751
data_agm020430751
_cell_length_a     15.49480
_cell_length_b     15.49480
_cell_length_c     15.49480
_cell_angle_alpha  165.25816
_cell_angle_beta   165.25816
_cell_angle_gamma  20.90643
_cell_volume       240.85219
_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
  Nd1 Nd 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.33229 0.33229 0.00000 1.00000
  Ho2 Ho 0.66771 0.66771 0.00000 1.00000
  Co1 Co 0.91451 0.41451 0.50000 1.00000
  Co2 Co 0.25000 0.75000 0.50000 1.00000
  Co3 Co 0.58549 0.08549 0.50000 1.00000
  Co4 Co 0.41451 0.91451 0.50000 1.00000
  Co5 Co 0.75000 0.25000 0.50000 1.00000
  Co6 Co 0.08549 0.58549 0.50000 1.00000
  Ge1 Ge 0.45520 0.45520 0.00000 1.00000
  Ge2 Ge 0.79018 0.79018 0.00000 1.00000
  Ge3 Ge 0.12558 0.12558 0.00000 1.00000
  Ge4 Ge 0.87442 0.87442 0.00000 1.00000
  Ge5 Ge 0.20982 0.20982 0.00000 1.00000
  Ge6 Ge 0.54480 0.54480 0.00000 1.00000
Get direct link