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Sr2Ce3Ge10

Alexandria ALEX

Alex-ID: agm008055949 · Space group: C2/m (#12)

Basic Information

Formula
Sr2Ce3Ge10
Alex-ID
agm008055949
Elements
3
Sites
15
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
359.63
ų
Cell a
4.3705
Å
Cell b
4.3705
Å
Cell c
23.5819
Å
α angle
74.36
°
β angle
74.36
°
γ angle
57.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ce3Ge10
Sr
2.00 · 13.3%
Ce
3.00 · 20.0%
Ge
10.00 · 66.7%

Energy & Stability

Energy above hull
0.0641
eV/atom
Formation energy
-0.5161
eV/atom
Corrected total energy
-75.0956
eV
Raw total energy
-75.0956
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0070
eV
DOS at Fermi level
18.8582
Total magnetisation
1.9592
μB

Additional Information

Prototype ID

A2B3C10_124_spg12

Decomposition

Ce2Ge5 Ce3Ge5 SrGe2

Computed at

2024-04-21 23:28:12.419502

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: agm008055949).

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 agm008055949
data_agm008055949
_cell_length_a     4.37055
_cell_length_b     4.37055
_cell_length_c     23.58187
_cell_angle_alpha  74.36111
_cell_angle_beta   74.36111
_cell_angle_gamma  57.01523
_cell_volume       359.62901
_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 0.89076 0.89076 0.11006 1.00000
  Sr2 Sr 0.10924 0.10924 0.88994 1.00000
  Ce1 Ce 0.68750 0.68750 0.31593 1.00000
  Ce2 Ce 0.50000 0.50000 0.50000 1.00000
  Ce3 Ce 0.31250 0.31250 0.68407 1.00000
  Ge1 Ge 0.94005 0.94005 0.39870 1.00000
  Ge2 Ge 0.75215 0.75215 0.58332 1.00000
  Ge3 Ge 0.13176 0.13176 0.20179 1.00000
  Ge4 Ge 0.35297 0.35297 0.97931 1.00000
  Ge5 Ge 0.56941 0.56941 0.76406 1.00000
  Ge6 Ge 0.24785 0.24785 0.41668 1.00000
  Ge7 Ge 0.05995 0.05995 0.60130 1.00000
  Ge8 Ge 0.43059 0.43059 0.23594 1.00000
  Ge9 Ge 0.64703 0.64703 0.02069 1.00000
  Ge10 Ge 0.86824 0.86824 0.79821 1.00000
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