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SrCeGe2Pt5

Alexandria ALEX

Alex-ID: agm005168199 · Space group: P4/mmm (#123)

Basic Information

Formula
SrCeGe2Pt5
Alex-ID
agm005168199
Elements
4
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
175.03
ų
Cell a
4.4856
Å
Cell b
4.4856
Å
Cell c
8.6992
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrCeGe2Pt5
Sr
1.00 · 11.1%
Ce
1.00 · 11.1%
Ge
2.00 · 22.2%
Pt
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1801
eV/atom
Formation energy
-0.6814
eV/atom
Corrected total energy
-53.4306
eV
Raw total energy
-53.4306
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4432
Total magnetisation
0.6395
μB

Additional Information

Prototype ID

ABC2D5_196_spg123

Decomposition

Sr(GePt)2 CePt3

Computed at

2023-01-07 20:55:41.540291

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: agm005168199).

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 agm005168199
data_agm005168199
_cell_length_a     4.48557
_cell_length_b     4.48557
_cell_length_c     8.69920
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       175.03047
_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
  Sr1 Sr 0.00000 0.00000 0.50000 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.50000 0.50000 0.14615 1.00000
  Ge2 Ge 0.50000 0.50000 0.85385 1.00000
  Pt1 Pt 0.00000 0.50000 0.26213 1.00000
  Pt2 Pt 0.50000 0.00000 0.26213 1.00000
  Pt3 Pt 0.00000 0.50000 0.73787 1.00000
  Pt4 Pt 0.50000 0.00000 0.73787 1.00000
  Pt5 Pt 0.50000 0.50000 0.50000 1.00000
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