Navigation

HEAS Data Platform · Materials Science Database

Ce8Ga4Pt

Alexandria ALEX

Alex-ID: agm097300490 · Space group: P1 (#1)

Basic Information

Formula
Ce8Ga4Pt
Alex-ID
agm097300490
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
315.15
ų
Cell a
4.2094
Å
Cell b
8.9705
Å
Cell c
9.0206
Å
α angle
68.69
°
β angle
86.95
°
γ angle
94.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8Ga4Pt
Ce
8.00 · 61.5%
Ga
4.00 · 30.8%
Pt
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0784
eV/atom
Formation energy
-0.4238
eV/atom
Corrected total energy
-71.1858
eV
Raw total energy
-71.1858
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
28.8959
Total magnetisation
3.0743
μB

Additional Information

Prototype ID

AB4C8_692_spg1

Decomposition

CeGaPt Ce2Ga CePt

Computed at

2025-06-15 12:18:41

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: agm097300490).

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 agm097300490
data_agm097300490
_cell_length_a     4.20939
_cell_length_b     8.97048
_cell_length_c     9.02065
_cell_angle_alpha  68.69087
_cell_angle_beta   86.94768
_cell_angle_gamma  94.46993
_cell_volume       315.14721
_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 0.37864 0.14605 0.21941 1.00000
  Ce2 Ce 0.41491 0.59253 0.15745 1.00000
  Ce3 Ce 0.30664 0.73194 0.69109 1.00000
  Ce4 Ce 0.34740 0.16582 0.65687 1.00000
  Ce5 Ce 0.77207 0.79241 0.29224 1.00000
  Ce6 Ce 0.70448 0.33286 0.36424 1.00000
  Ce7 Ce 0.56251 0.41906 0.76514 1.00000
  Ce8 Ce 0.80162 0.80425 0.86449 1.00000
  Ga1 Ga 0.88268 0.13094 0.95602 1.00000
  Ga2 Ga 0.97034 0.42260 0.01568 1.00000
  Ga3 Ga 0.16756 0.52621 0.49209 1.00000
  Ga4 Ga 0.86386 0.99343 0.50753 1.00000
  Pt1 Pt 0.32727 0.94190 0.01777 1.00000
Get direct link