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Ce5Ge2Pt

Alexandria ALEX

Alex-ID: agm005997353 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Ce5Ge2Pt
Alex-ID
agm005997353
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
413.02
ų
Cell a
4.5272
Å
Cell b
7.6895
Å
Cell c
11.8644
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5Ge2Pt
Ce
10.00 · 62.5%
Ge
4.00 · 25.0%
Pt
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0166
eV/atom
Formation energy
-0.6760
eV/atom
Corrected total energy
-100.8003
eV
Raw total energy
-100.8003
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0014
eV
DOS at Fermi level
43.8807
Total magnetisation
8.3172
μB

Additional Information

Prototype ID

AB2C5_138_spg55

Decomposition

Ce2Ge CePt

Computed at

2023-08-25 11:59:07

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: agm005997353).

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 agm005997353
data_agm005997353
_cell_length_a     4.52722
_cell_length_b     7.68946
_cell_length_c     11.86438
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       413.02072
_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 0.00000 0.00000 0.50000 1.00000
  Ce2 Ce 0.00000 0.50000 0.00000 1.00000
  Ce3 Ce 0.00000 0.84753 0.21955 1.00000
  Ce4 Ce 0.00000 0.15247 0.78045 1.00000
  Ce5 Ce 0.00000 0.65247 0.71955 1.00000
  Ce6 Ce 0.00000 0.34753 0.28045 1.00000
  Ce7 Ce 0.50000 0.71173 0.43424 1.00000
  Ce8 Ce 0.50000 0.28827 0.56576 1.00000
  Ce9 Ce 0.50000 0.78827 0.93424 1.00000
  Ce10 Ce 0.50000 0.21173 0.06576 1.00000
  Ge1 Ge 0.50000 0.57861 0.17296 1.00000
  Ge2 Ge 0.50000 0.42139 0.82704 1.00000
  Ge3 Ge 0.50000 0.92139 0.67296 1.00000
  Ge4 Ge 0.50000 0.07861 0.32704 1.00000
  Pt1 Pt 0.00000 0.50000 0.50000 1.00000
  Pt2 Pt 0.00000 0.00000 0.00000 1.00000
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