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EuGe3

Alexandria ALEX

Alex-ID: agm091024979 · Space group: P6_3/mmc (#194)

Alexandria Database API

Basic Information

Formula
EuGe3
Alex-ID
agm091024979
Elements
2
Sites
16
Space group
P6_3/mmc (#194)
Crystal system
hexagonal
Volume
343.89
ų
Cell a
6.3035
Å
Cell b
6.3035
Å
Cell c
9.9935
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuGe3
Eu
4.00 · 25.0%
Ge
12.00 · 75.0%

Energy & Stability

Energy above hull
0.0620
eV/atom
Formation energy
-0.3469
eV/atom
Corrected total energy
-102.0561
eV
Raw total energy
-102.0561
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0059
eV
DOS at Fermi level
8.5226
Total magnetisation
27.1433
μB

Additional Information

Prototype ID

AB3_5_spg194

Decomposition

EuGe2 Ge

Computed at

2025-04-06 13:09:29

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: agm091024979).

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 agm091024979
data_agm091024979
_cell_length_a     6.30354
_cell_length_b     6.30354
_cell_length_c     9.99345
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       343.88615
_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 0.00000 0.00000 1.00000
  Eu2 Eu 0.00000 0.00000 0.50000 1.00000
  Eu3 Eu 0.33333 0.66667 0.75000 1.00000
  Eu4 Eu 0.66667 0.33333 0.25000 1.00000
  Ge1 Ge 0.00000 0.50000 0.00000 1.00000
  Ge2 Ge 0.50000 0.00000 0.50000 1.00000
  Ge3 Ge 0.50000 0.50000 0.00000 1.00000
  Ge4 Ge 0.00000 0.50000 0.50000 1.00000
  Ge5 Ge 0.50000 0.00000 0.00000 1.00000
  Ge6 Ge 0.50000 0.50000 0.50000 1.00000
  Ge7 Ge 0.19258 0.38516 0.25000 1.00000
  Ge8 Ge 0.80742 0.61484 0.75000 1.00000
  Ge9 Ge 0.80742 0.19258 0.75000 1.00000
  Ge10 Ge 0.19258 0.80742 0.25000 1.00000
  Ge11 Ge 0.61484 0.80742 0.25000 1.00000
  Ge12 Ge 0.38516 0.19258 0.75000 1.00000
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