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EuScGe

Alexandria ALEX

Alex-ID: agm077704582 · Space group: P4/nmm (#129)

Alexandria Database API

Basic Information

Formula
EuScGe
Alex-ID
agm077704582
Elements
3
Sites
6
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
155.92
ų
Cell a
4.4704
Å
Cell b
4.4704
Å
Cell c
7.8019
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuScGe
Eu
2.00 · 33.3%
Sc
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0335
eV/atom
Formation energy
-0.6527
eV/atom
Corrected total energy
-46.3627
eV
Raw total energy
-46.3627
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.6957
Total magnetisation
16.0254
μB

Additional Information

Prototype ID

ABC_519_spg59

Decomposition

Sc5Ge3 Eu2Ge Eu

Computed at

2025-04-16 04:14:46

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: agm077704582).

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 agm077704582
data_agm077704582
_cell_length_a     4.47039
_cell_length_b     4.47039
_cell_length_c     7.80186
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       155.91551
_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
  Eu1 Eu 0.00000 0.50000 0.35581 1.00000
  Eu2 Eu 0.50000 0.00000 0.64419 1.00000
  Sc1 Sc 0.00000 0.00000 0.00000 1.00000
  Sc2 Sc 0.50000 0.50000 0.00000 1.00000
  Ge1 Ge 0.00000 0.50000 0.77241 1.00000
  Ge2 Ge 0.50000 0.00000 0.22759 1.00000
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