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SrEu(GeO3)4

Alexandria ALEX

Alex-ID: agm005280146 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
SrEu(GeO3)4
Alex-ID
agm005280146
Elements
4
Sites
18
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
215.33
ų
Cell a
5.3376
Å
Cell b
5.3376
Å
Cell c
7.5580
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrEu(GeO3)4
Sr
1.00 · 5.6%
Eu
1.00 · 5.6%
Ge
4.00 · 22.2%
O
12.00 · 66.7%

Energy & Stability

Energy above hull
0.3073
eV/atom
Formation energy
-2.0100
eV/atom
Corrected total energy
-126.1119
eV
Raw total energy
-117.6844
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.2483
Total magnetisation
3.0913
μB

Additional Information

Prototype ID

ABC4D12_91_spg123

Decomposition

SrGe4O9 SrGeO3 SrO12 Eu2Ge2O7

Computed at

2023-05-07 16:38:16.279036

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: agm005280146).

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 agm005280146
data_agm005280146
_cell_length_a     5.33762
_cell_length_b     5.33762
_cell_length_c     7.55796
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       215.32743
_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 0.00000 1.00000
  Eu1 Eu 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.00000 0.50000 0.75260 1.00000
  Ge2 Ge 0.00000 0.50000 0.24740 1.00000
  Ge3 Ge 0.50000 0.00000 0.75260 1.00000
  Ge4 Ge 0.50000 0.00000 0.24740 1.00000
  O1 O 0.25428 0.25428 0.74026 1.00000
  O2 O 0.25428 0.25428 0.25974 1.00000
  O3 O 0.74572 0.74572 0.25974 1.00000
  O4 O 0.74572 0.74572 0.74026 1.00000
  O5 O 0.74572 0.25428 0.74026 1.00000
  O6 O 0.74572 0.25428 0.25974 1.00000
  O7 O 0.25428 0.74572 0.25974 1.00000
  O8 O 0.25428 0.74572 0.74026 1.00000
  O9 O 0.00000 0.50000 0.50000 1.00000
  O10 O 0.00000 0.50000 0.00000 1.00000
  O11 O 0.50000 0.00000 0.50000 1.00000
  O12 O 0.50000 0.00000 0.00000 1.00000
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