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Er2MnGe4

Alexandria ALEX

Alex-ID: agm005259983 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Er2MnGe4
Alex-ID
agm005259983
Elements
3
Sites
7
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
136.60
ų
Cell a
8.0239
Å
Cell b
8.0239
Å
Cell c
4.1674
Å
α angle
90.00
°
β angle
90.00
°
γ angle
149.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2MnGe4
Er
2.00 · 28.6%
Mn
1.00 · 14.3%
Ge
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0512
eV/atom
Formation energy
-0.5219
eV/atom
Corrected total energy
-40.4183
eV
Raw total energy
-40.4183
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0057
eV
DOS at Fermi level
3.9837
Total magnetisation
1.5853
μB

Additional Information

Prototype ID

AB2C4_62_spg65

Decomposition

Er3Ge5 Er3Ge4 Er(MnGe)6

Computed at

2023-04-20 23:45:48.495000

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: agm005259983).

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 agm005259983
data_agm005259983
_cell_length_a     8.02393
_cell_length_b     8.02393
_cell_length_c     4.16741
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  149.39598
_cell_volume       136.59837
_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 0.10190 0.89810 0.00000 1.00000
  Er2 Er 0.89674 0.10326 0.50000 1.00000
  Mn1 Mn 0.30401 0.69599 0.00000 1.00000
  Ge1 Ge 0.45555 0.54445 0.00000 1.00000
  Ge2 Ge 0.56614 0.43386 0.50000 1.00000
  Ge3 Ge 0.73973 0.26027 0.00000 1.00000
  Ge4 Ge 0.24093 0.75907 0.50000 1.00000
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