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Ge(H2W)4

Alexandria ALEX

Alex-ID: agm098570883 · Space group: Cm (#8)

Basic Information

Formula
Ge(H2W)4
Alex-ID
agm098570883
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
122.32
ų
Cell a
4.3770
Å
Cell b
5.5744
Å
Cell c
5.7635
Å
α angle
118.92
°
β angle
84.42
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ge(H2W)4
Ge
1.00 · 7.7%
H
8.00 · 61.5%
W
4.00 · 30.8%

Energy & Stability

Energy above hull
0.3101
eV/atom
Formation energy
0.2677
eV/atom
Corrected total energy
-78.8682
eV
Raw total energy
-78.8682
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0627
eV
DOS at Fermi level
3.7434
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_852_spg8

Decomposition

GeH8 W

Computed at

2025-04-29 18:28:55

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: agm098570883).

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 agm098570883
data_agm098570883
_cell_length_a     4.37702
_cell_length_b     5.57443
_cell_length_c     5.76346
_cell_angle_alpha  118.92269
_cell_angle_beta   84.42093
_cell_angle_gamma  89.99526
_cell_volume       122.32299
_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 0.57944 0.09877 0.88972 1.00000
  H1 H 0.48625 0.39384 0.48010 1.00000
  H2 H 0.35924 0.64323 0.97875 1.00000
  H3 H 0.80896 0.59561 0.35006 1.00000
  H4 H 0.29310 0.24161 0.66640 1.00000
  H5 H 0.30362 0.04599 0.29817 1.00000
  H6 H 0.80904 0.06230 0.35017 1.00000
  H7 H 0.30363 0.55992 0.29824 1.00000
  H8 H 0.29305 0.73238 0.66641 1.00000
  W1 W 0.06570 0.89936 0.00441 1.00000
  W2 W 0.09498 0.40485 0.50208 1.00000
  W3 W 0.06567 0.41279 0.00441 1.00000
  W4 W 0.03732 0.90936 0.51110 1.00000
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