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Nd8HoGe4

Alexandria ALEX

Alex-ID: agm098065879 · Space group: Cm (#8)

Basic Information

Formula
Nd8HoGe4
Alex-ID
agm098065879
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
387.82
ų
Cell a
4.2858
Å
Cell b
11.3905
Å
Cell c
9.0655
Å
α angle
65.19
°
β angle
76.28
°
γ angle
89.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd8HoGe4
Nd
8.00 · 61.5%
Ho
1.00 · 7.7%
Ge
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0833
eV/atom
Formation energy
-0.5116
eV/atom
Corrected total energy
-67.8775
eV
Raw total energy
-67.8775
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0110
eV
DOS at Fermi level
16.2171
Total magnetisation
0.5190
μB

Additional Information

Prototype ID

AB4C8_1614_spg8

Decomposition

Nd4Ge3 Ho5Ge3 Nd

Computed at

2025-06-15 14:49:43

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: agm098065879).

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 agm098065879
data_agm098065879
_cell_length_a     4.28577
_cell_length_b     11.39054
_cell_length_c     9.06547
_cell_angle_alpha  65.19206
_cell_angle_beta   76.28331
_cell_angle_gamma  89.93769
_cell_volume       387.81747
_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 0.81818 0.15917 0.20718 1.00000
  Nd2 Nd 0.37555 0.63897 0.09513 1.00000
  Nd3 Nd 0.06514 0.69603 0.71575 1.00000
  Nd4 Nd 0.03787 0.21291 0.77107 1.00000
  Nd5 Nd 0.74386 0.75369 0.35797 1.00000
  Nd6 Nd 0.71282 0.36620 0.42413 1.00000
  Nd7 Nd 0.50402 0.42156 0.83959 1.00000
  Nd8 Nd 0.60015 0.97433 0.64342 1.00000
  Ho1 Ho 0.40001 0.98559 0.04546 1.00000
  Ge1 Ge 0.95486 0.86273 0.93599 1.00000
  Ge2 Ge 0.89745 0.46318 0.05213 1.00000
  Ge3 Ge 0.16431 0.51787 0.51968 1.00000
  Ge4 Ge 0.22579 0.94777 0.39250 1.00000
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