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EuGeIr

Alexandria ALEX

Alex-ID: agm002215554 · Space group: P-62m (#189)

Alexandria Database API

Basic Information

Formula
EuGeIr
Alex-ID
agm002215554
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
178.18
ų
Cell a
4.2078
Å
Cell b
6.9925
Å
Cell c
6.9925
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuGeIr
Eu
3.00 · 33.3%
Ge
3.00 · 33.3%
Ir
3.00 · 33.3%

Energy & Stability

Energy above hull
0.1660
eV/atom
Formation energy
-0.5204
eV/atom
Corrected total energy
-75.9420
eV
Raw total energy
-75.9420
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0008
eV
DOS at Fermi level
10.7122
Total magnetisation
20.0913
μB

Additional Information

Prototype ID

ABC_250_spg189

Decomposition

EuGeIr

Computed at

2018-11-29 04:48:21

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: agm002215554).

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 agm002215554
data_agm002215554
_cell_length_a     4.20783
_cell_length_b     6.99246
_cell_length_c     6.99246
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       178.17565
_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 0.57956 1.00000 1.00000
  Eu2 Eu 0.00000 0.42044 0.42044 1.00000
  Eu3 Eu 0.00000 1.00000 0.57956 1.00000
  Ge1 Ge 0.50000 0.33333 0.66667 1.00000
  Ge2 Ge 0.00000 0.00000 0.00000 1.00000
  Ge3 Ge 0.50000 0.66667 0.33333 1.00000
  Ir1 Ir 0.50000 0.00000 0.23488 1.00000
  Ir2 Ir 0.50000 0.23488 0.00000 1.00000
  Ir3 Ir 0.50000 0.76512 0.76512 1.00000
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