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Y4In(NiGe2)2

Alexandria ALEX

Alex-ID: agm020187161 · Space group: C2/m (#12)

Basic Information

Formula
Y4In(NiGe2)2
Alex-ID
agm020187161
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
221.84
ų
Cell a
8.0669
Å
Cell b
8.0669
Å
Cell c
7.0728
Å
α angle
72.02
°
β angle
107.98
°
γ angle
149.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y4In(NiGe2)2
Y
4.00 · 36.4%
In
1.00 · 9.1%
Ni
2.00 · 18.2%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7952
eV/atom
Corrected total energy
-67.3683
eV
Raw total energy
-67.3683
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.9503
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Y4In(NiGe2)2

Computed at

2025-01-05 19:32:00

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: agm020187161).

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 agm020187161
data_agm020187161
_cell_length_a     8.06688
_cell_length_b     8.06688
_cell_length_c     7.07276
_cell_angle_alpha  72.02495
_cell_angle_beta   107.97505
_cell_angle_gamma  149.42154
_cell_volume       221.83503
_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
  Y1 Y 0.65529 0.34471 0.43814 1.00000
  Y2 Y 0.34471 0.65529 0.56186 1.00000
  Y3 Y 0.59173 0.40827 0.89079 1.00000
  Y4 Y 0.40827 0.59173 0.10921 1.00000
  In1 In 0.00000 0.00000 0.50000 1.00000
  Ni1 Ni 0.78374 0.21626 0.85077 1.00000
  Ni2 Ni 0.21626 0.78374 0.14923 1.00000
  Ge1 Ge 0.93504 0.06496 0.83705 1.00000
  Ge2 Ge 0.06496 0.93504 0.16295 1.00000
  Ge3 Ge 0.79467 0.20533 0.22244 1.00000
  Ge4 Ge 0.20533 0.79467 0.77756 1.00000
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