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Eu(GeAs)2

Alexandria ALEX

Alex-ID: agm002215399 · Space group: R-3m (#166)

Basic Information

Formula
Eu(GeAs)2
Alex-ID
agm002215399
Elements
3
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
119.74
ų
Cell a
4.0461
Å
Cell b
4.0461
Å
Cell c
8.7686
Å
α angle
76.64
°
β angle
76.64
°
γ angle
59.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu(GeAs)2
Eu
1.00 · 20.0%
As
2.00 · 40.0%
Ge
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0578
eV/atom
Formation energy
-0.4440
eV/atom
Corrected total energy
-31.0282
eV
Raw total energy
-31.0282
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0082
eV
DOS at Fermi level
0.1442
Total magnetisation
6.9987
μB

Additional Information

Prototype ID

AB2C2_46_spg166

Decomposition

GeAs Eu3(GeAs2)2 Ge

Computed at

2018-11-28 16:25:54

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: agm002215399).

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 agm002215399
data_agm002215399
_cell_length_a     4.04611
_cell_length_b     4.04611
_cell_length_c     8.76859
_cell_angle_alpha  76.63990
_cell_angle_beta   76.63990
_cell_angle_gamma  59.94240
_cell_volume       119.74463
_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
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  As1 As 0.58890 0.58890 0.23331 1.00000
  As2 As 0.41110 0.41110 0.76669 1.00000
  Ge1 Ge 0.20713 0.20713 0.37843 1.00000
  Ge2 Ge 0.79287 0.79287 0.62157 1.00000
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