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Y8InGe4

Alexandria ALEX

Alex-ID: agm097590964 · Space group: Amm2 (#38)

Basic Information

Formula
Y8InGe4
Alex-ID
agm097590964
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
336.46
ų
Cell a
4.2576
Å
Cell b
9.2161
Å
Cell c
9.2160
Å
α angle
68.50
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8InGe4
Y
8.00 · 61.5%
In
1.00 · 7.7%
Ge
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1850
eV/atom
Formation energy
-0.5862
eV/atom
Corrected total energy
-80.5639
eV
Raw total energy
-80.5639
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
13.5698
Total magnetisation
-0.0014
μB

Additional Information

Prototype ID

AB4C8_1167_spg6

Decomposition

Y12In7Ge Y11(In3Ge2)2 Y5Ge3

Computed at

2025-06-15 13:29:22

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: agm097590964).

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 agm097590964
data_agm097590964
_cell_length_a     4.25764
_cell_length_b     9.21608
_cell_length_c     9.21605
_cell_angle_alpha  68.49980
_cell_angle_beta   90.00199
_cell_angle_gamma  90.00412
_cell_volume       336.46291
_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 0.69218 0.30557 0.07642 1.00000
  Y2 Y 0.69232 0.70138 0.15787 1.00000
  Y3 Y 0.19229 0.69870 0.45988 1.00000
  Y4 Y 0.69236 0.08089 0.77835 1.00000
  Y5 Y 0.69236 0.99953 0.38257 1.00000
  Y6 Y 0.19226 0.32186 0.39888 1.00000
  Y7 Y 0.19223 0.38308 0.77530 1.00000
  Y8 Y 0.69233 0.69560 0.77263 1.00000
  In1 In 0.19208 0.02492 0.10173 1.00000
  Ge1 Ge 0.19242 0.83985 0.91703 1.00000
  Ge2 Ge 0.19236 0.53155 0.03633 1.00000
  Ge3 Ge 0.69233 0.45791 0.53430 1.00000
  Ge4 Ge 0.19249 0.95916 0.60870 1.00000
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