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Ac2InGaGe

Alexandria ALEX

Alex-ID: agm005000650 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ac2InGaGe
Alex-ID
agm005000650
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
324.19
ų
Cell a
4.6021
Å
Cell b
7.6285
Å
Cell c
9.5836
Å
α angle
105.51
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2InGaGe
Ac
4.00 · 40.0%
In
2.00 · 20.0%
Ga
2.00 · 20.0%
Ge
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1318
eV/atom
Formation energy
-0.4906
eV/atom
Corrected total energy
-42.1721
eV
Raw total energy
-42.1721
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0416
eV
DOS at Fermi level
7.0368
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_1570_spg11

Decomposition

Ac3In5 Ac4Ge3 Ac2InGe2 AcGa2

Computed at

2022-07-04 06:47:22.473384

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: agm005000650).

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 agm005000650
data_agm005000650
_cell_length_a     4.60206
_cell_length_b     7.62854
_cell_length_c     9.58362
_cell_angle_alpha  105.51369
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       324.19387
_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
  Ac1 Ac 0.75000 0.79619 0.58855 1.00000
  Ac2 Ac 0.75000 0.74590 0.02621 1.00000
  Ac3 Ac 0.25000 0.20381 0.41145 1.00000
  Ac4 Ac 0.25000 0.25410 0.97379 1.00000
  In1 In 0.25000 0.68864 0.30212 1.00000
  In2 In 0.75000 0.31136 0.69788 1.00000
  Ga1 Ga 0.25000 0.52197 0.73245 1.00000
  Ga2 Ga 0.75000 0.47803 0.26755 1.00000
  Ge1 Ge 0.25000 0.85064 0.82838 1.00000
  Ge2 Ge 0.75000 0.14936 0.17162 1.00000
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