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Ge2W

Alexandria ALEX

Alex-ID: agm002152170 · Space group: C2/m (#12)

Basic Information

Formula
Ge2W
Alex-ID
agm002152170
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
103.45
ų
Cell a
3.2038
Å
Cell b
4.9259
Å
Cell c
7.1857
Å
α angle
78.03
°
β angle
77.15
°
γ angle
71.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ge2W
Ge
4.00 · 66.7%
W
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1674
eV/atom
Formation energy
0.1674
eV/atom
Corrected total energy
-43.3714
eV
Raw total energy
-43.3714
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0567
eV
DOS at Fermi level
3.6759
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_83_spg12

Decomposition

W Ge

Computed at

2023-03-28 13:45:42.443158

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: agm002152170).

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 agm002152170
data_agm002152170
_cell_length_a     3.20377
_cell_length_b     4.92595
_cell_length_c     7.18569
_cell_angle_alpha  78.03127
_cell_angle_beta   77.15217
_cell_angle_gamma  71.06895
_cell_volume       103.45170
_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
  Ge1 Ge 0.15130 0.23577 0.46119 1.00000
  Ge2 Ge 0.84870 0.76423 0.53881 1.00000
  Ge3 Ge 0.39215 0.32791 0.88705 1.00000
  Ge4 Ge 0.60785 0.67209 0.11295 1.00000
  W1 W 0.14311 0.89766 0.81710 1.00000
  W2 W 0.85689 0.10234 0.18290 1.00000
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