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SrCe(GePt)4

Alexandria ALEX

Alex-ID: agm022153385 · Space group: Pm (#6)

Basic Information

Formula
SrCe(GePt)4
Alex-ID
agm022153385
Elements
4
Sites
10
Space group
Pm (#6)
Crystal system
monoclinic
Volume
197.72
ų
Cell a
4.4290
Å
Cell b
4.4381
Å
Cell c
10.0593
Å
α angle
89.49
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrCe(GePt)4
Sr
1.00 · 10.0%
Ce
1.00 · 10.0%
Ge
4.00 · 40.0%
Pt
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0090
eV/atom
Formation energy
-0.8311
eV/atom
Corrected total energy
-58.7557
eV
Raw total energy
-58.7557
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
9.2966
Total magnetisation
0.9722
μB

Additional Information

Prototype ID

ABC4D4_102_spg6

Decomposition

Sr(GePt)2 Ce(GePt)2

Computed at

2024-11-01 20:22:04.383194

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: agm022153385).

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 agm022153385
data_agm022153385
_cell_length_a     4.42901
_cell_length_b     4.43807
_cell_length_c     10.05933
_cell_angle_alpha  89.49290
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       197.72112
_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 0.50000 0.74949 0.25113 1.00000
  Ce1 Ce 0.00000 0.24465 0.74493 1.00000
  Ge1 Ge 0.50000 0.24607 0.50354 1.00000
  Ge2 Ge 0.00000 0.74911 0.50319 1.00000
  Ge3 Ge 0.00000 0.26160 0.12610 1.00000
  Ge4 Ge 0.50000 0.72828 0.87378 1.00000
  Pt1 Pt 0.00000 0.25135 0.37903 1.00000
  Pt2 Pt 0.50000 0.74382 0.62924 1.00000
  Pt3 Pt 0.50000 0.22576 0.99544 1.00000
  Pt4 Pt 0.00000 0.76787 0.99362 1.00000
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