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EuNi9Ge4

Alexandria ALEX

Alex-ID: agm005239967 · Space group: I4/mcm (#140)

Alexandria Database API

Basic Information

Formula
EuNi9Ge4
Alex-ID
agm005239967
Elements
3
Sites
28
Space group
I4/mcm (#140)
Crystal system
tetragonal
Volume
391.03
ų
Cell a
8.1338
Å
Cell b
8.1338
Å
Cell c
8.1338
Å
α angle
118.04
°
β angle
118.04
°
γ angle
93.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuNi9Ge4
Eu
2.00 · 7.1%
Ni
18.00 · 64.3%
Ge
8.00 · 28.6%

Energy & Stability

Energy above hull
0.2118
eV/atom
Formation energy
-0.1685
eV/atom
Corrected total energy
-166.3165
eV
Raw total energy
-166.3165
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
40.7635
Total magnetisation
-13.6494
μB

Additional Information

Prototype ID

AB4C9_5_spg140

Decomposition

EuNi5Ge3 EuNi5 Ni3Ge

Computed at

2023-05-11 19:12:09.185470

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: agm005239967).

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 agm005239967
data_agm005239967
_cell_length_a     8.13384
_cell_length_b     8.13384
_cell_length_c     8.13384
_cell_angle_alpha  118.03918
_cell_angle_beta   118.03918
_cell_angle_gamma  93.43118
_cell_volume       391.03484
_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 0.75000 0.75000 0.00000 1.00000
  Eu2 Eu 0.25000 0.25000 0.00000 1.00000
  Ni1 Ni 0.30235 0.80235 0.86769 1.00000
  Ni2 Ni 0.69765 0.19765 0.13231 1.00000
  Ni3 Ni 0.93465 0.43465 0.13231 1.00000
  Ni4 Ni 0.80235 0.93465 0.50000 1.00000
  Ni5 Ni 0.56535 0.69765 0.50000 1.00000
  Ni6 Ni 0.06535 0.56535 0.86769 1.00000
  Ni7 Ni 0.19765 0.06535 0.50000 1.00000
  Ni8 Ni 0.43465 0.30235 0.50000 1.00000
  Ni9 Ni 0.00000 0.50000 0.50000 1.00000
  Ni10 Ni 0.50000 0.00000 0.50000 1.00000
  Ni11 Ni 0.79241 0.29241 0.72650 1.00000
  Ni12 Ni 0.20759 0.70759 0.27350 1.00000
  Ni13 Ni 0.56590 0.06590 0.27350 1.00000
  Ni14 Ni 0.29241 0.56590 0.50000 1.00000
  Ni15 Ni 0.93410 0.20759 0.50000 1.00000
  Ni16 Ni 0.43410 0.93410 0.72650 1.00000
  Ni17 Ni 0.70759 0.43410 0.50000 1.00000
  Ni18 Ni 0.06590 0.79241 0.50000 1.00000
  Ge1 Ge 0.71886 0.55409 0.27295 1.00000
  Ge2 Ge 0.28114 0.44591 0.72705 1.00000
  Ge3 Ge 0.55409 0.28114 0.83523 1.00000
  Ge4 Ge 0.21886 0.94591 0.16477 1.00000
  Ge5 Ge 0.44591 0.71886 0.16477 1.00000
  Ge6 Ge 0.78114 0.05409 0.83523 1.00000
  Ge7 Ge 0.05409 0.21886 0.27295 1.00000
  Ge8 Ge 0.94591 0.78114 0.72705 1.00000
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