Navigation

HEAS Data Platform · Materials Science Database

Y4Ho(GePd)10

Alexandria ALEX

Alex-ID: agm021010858 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Y4Ho(GePd)10
Alex-ID
agm021010858
Elements
4
Sites
25
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
463.67
ų
Cell a
25.9493
Å
Cell b
25.9493
Å
Cell c
25.9493
Å
α angle
170.62
°
β angle
170.62
°
γ angle
13.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y4Ho(GePd)10
Y
4.00 · 16.0%
Ho
1.00 · 4.0%
Ge
10.00 · 40.0%
Pd
10.00 · 40.0%

Energy & Stability

Energy above hull
0.0026
eV/atom
Formation energy
-0.7983
eV/atom
Corrected total energy
-148.4894
eV
Raw total energy
-148.4893
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.1692
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10D10_0_spg139

Decomposition

Ho3(GePd)4 Y(GePd)2 GePd

Computed at

2024-12-10 12:51:01.400325

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: agm021010858).

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 agm021010858
data_agm021010858
_cell_length_a     25.94931
_cell_length_b     25.94931
_cell_length_c     25.94931
_cell_angle_alpha  170.62479
_cell_angle_beta   170.62479
_cell_angle_gamma  13.27343
_cell_volume       463.66613
_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
  Y1 Y 0.59988 0.59988 0.00000 1.00000
  Y2 Y 0.19999 0.19999 0.00000 1.00000
  Y3 Y 0.80001 0.80001 0.00000 1.00000
  Y4 Y 0.40012 0.40012 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.52361 0.52361 0.00000 1.00000
  Ge2 Ge 0.12365 0.12365 0.00000 1.00000
  Ge3 Ge 0.72371 0.72371 0.00000 1.00000
  Ge4 Ge 0.32375 0.32375 0.00000 1.00000
  Ge5 Ge 0.92383 0.92383 0.00000 1.00000
  Ge6 Ge 0.07617 0.07617 0.00000 1.00000
  Ge7 Ge 0.67625 0.67625 0.00000 1.00000
  Ge8 Ge 0.27629 0.27629 0.00000 1.00000
  Ge9 Ge 0.87635 0.87635 0.00000 1.00000
  Ge10 Ge 0.47639 0.47639 0.00000 1.00000
  Pd1 Pd 0.54977 0.04977 0.50000 1.00000
  Pd2 Pd 0.14996 0.64996 0.50000 1.00000
  Pd3 Pd 0.75000 0.25000 0.50000 1.00000
  Pd4 Pd 0.35004 0.85004 0.50000 1.00000
  Pd5 Pd 0.95023 0.45023 0.50000 1.00000
  Pd6 Pd 0.04977 0.54977 0.50000 1.00000
  Pd7 Pd 0.64996 0.14996 0.50000 1.00000
  Pd8 Pd 0.25000 0.75000 0.50000 1.00000
  Pd9 Pd 0.85004 0.35004 0.50000 1.00000
  Pd10 Pd 0.45023 0.95023 0.50000 1.00000
Get direct link