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CeGe2Pt5Rh

Alexandria ALEX

Alex-ID: agm005168173 · Space group: P4/mmm (#123)

Basic Information

Formula
CeGe2Pt5Rh
Alex-ID
agm005168173
Elements
4
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
157.73
ų
Cell a
4.0379
Å
Cell b
4.0379
Å
Cell c
9.6744
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeGe2Pt5Rh
Ce
1.00 · 11.1%
Ge
2.00 · 22.2%
Pt
5.00 · 55.6%
Rh
1.00 · 11.1%

Energy & Stability

Energy above hull
0.2526
eV/atom
Formation energy
-0.4333
eV/atom
Corrected total energy
-56.8596
eV
Raw total energy
-56.8596
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.0811
Total magnetisation
0.2403
μB

Additional Information

Prototype ID

ABC2D5_234_spg123

Decomposition

CeGePt5 GePt GePtRh Ce(Ge2Rh3)2

Computed at

2023-01-07 20:54:27.487587

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: agm005168173).

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 agm005168173
data_agm005168173
_cell_length_a     4.03785
_cell_length_b     4.03785
_cell_length_c     9.67437
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       157.73335
_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
  Ge1 Ge 0.50000 0.50000 0.12178 1.00000
  Ge2 Ge 0.50000 0.50000 0.87822 1.00000
  Pt1 Pt 0.00000 0.50000 0.27283 1.00000
  Pt2 Pt 0.50000 0.00000 0.27283 1.00000
  Pt3 Pt 0.00000 0.50000 0.72717 1.00000
  Pt4 Pt 0.50000 0.00000 0.72717 1.00000
  Pt5 Pt 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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