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Er2Al2Ge3

Alexandria ALEX

Alex-ID: agm003308397 · Space group: C2/m (#12)

Basic Information

Formula
Er2Al2Ge3
Alex-ID
agm003308397
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
154.23
ų
Cell a
4.3389
Å
Cell b
7.6302
Å
Cell c
5.6576
Å
α angle
114.73
°
β angle
112.55
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2Al2Ge3
Er
2.00 · 28.6%
Al
2.00 · 28.6%
Ge
3.00 · 42.9%

Energy & Stability

Energy above hull
0.1957
eV/atom
Formation energy
-0.3548
eV/atom
Corrected total energy
-32.9523
eV
Raw total energy
-32.9523
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0417
eV
DOS at Fermi level
3.2348
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_206_spg12

Decomposition

ErAlGe Ge

Computed at

2022-01-23 04:08:10.794765

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: agm003308397).

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 agm003308397
data_agm003308397
_cell_length_a     4.33894
_cell_length_b     7.63017
_cell_length_c     5.65756
_cell_angle_alpha  114.72541
_cell_angle_beta   112.54838
_cell_angle_gamma  90.00000
_cell_volume       154.22807
_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
  Er1 Er 0.56470 0.78042 0.12940 1.00000
  Er2 Er 0.43530 0.21958 0.87060 1.00000
  Al1 Al 0.80624 0.63178 0.61248 1.00000
  Al2 Al 0.19376 0.36822 0.38752 1.00000
  Ge1 Ge 0.00000 0.50000 0.00000 1.00000
  Ge2 Ge 0.28430 0.79508 0.56860 1.00000
  Ge3 Ge 0.71570 0.20492 0.43140 1.00000
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