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Ce8HoPd4

Alexandria ALEX

Alex-ID: agm097284952 · Space group: P1 (#1)

Basic Information

Formula
Ce8HoPd4
Alex-ID
agm097284952
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
324.31
ų
Cell a
5.7697
Å
Cell b
7.9647
Å
Cell c
7.8667
Å
α angle
115.08
°
β angle
96.71
°
γ angle
90.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8HoPd4
Ce
8.00 · 61.5%
Ho
1.00 · 7.7%
Pd
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1366
eV/atom
Formation energy
-0.3519
eV/atom
Corrected total energy
-77.3955
eV
Raw total energy
-77.3955
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
33.0141
Total magnetisation
2.7943
μB

Additional Information

Prototype ID

AB4C8_207_spg12

Decomposition

HoPd Ce CePd

Computed at

2025-06-22 18:14:14

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: agm097284952).

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 agm097284952
data_agm097284952
_cell_length_a     5.76973
_cell_length_b     7.96467
_cell_length_c     7.86674
_cell_angle_alpha  115.07689
_cell_angle_beta   96.71369
_cell_angle_gamma  90.93755
_cell_volume       324.31301
_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
  Ce1 Ce 0.73507 0.86157 0.68296 1.00000
  Ce2 Ce 0.85130 0.79206 0.22290 1.00000
  Ce3 Ce 0.69693 0.33588 0.66854 1.00000
  Ce4 Ce 0.97651 0.33871 0.97700 1.00000
  Ce5 Ce 0.27179 0.66884 0.83757 1.00000
  Ce6 Ce 0.34673 0.62418 0.47678 1.00000
  Ce7 Ce 0.24124 0.08817 0.71374 1.00000
  Ce8 Ce 0.08285 0.22482 0.46798 1.00000
  Ho1 Ho 0.54173 0.16055 0.15246 1.00000
  Pd1 Pd 0.04315 0.01179 0.04814 1.00000
  Pd2 Pd 0.38924 0.89769 0.29955 1.00000
  Pd3 Pd 0.48101 0.48909 0.06950 1.00000
  Pd4 Pd 0.84243 0.50666 0.38287 1.00000
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