Navigation

HEAS Data Platform · Materials Science Database

Na2Ge2H5

Alexandria ALEX

Alex-ID: agm007332033 · Space group: C2/m (#12)

Basic Information

Formula
Na2Ge2H5
Alex-ID
agm007332033
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
126.78
ų
Cell a
4.7741
Å
Cell b
4.7741
Å
Cell c
7.2455
Å
α angle
63.49
°
β angle
116.51
°
γ angle
115.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Na2Ge2H5
Na
2.00 · 22.2%
Ge
2.00 · 22.2%
H
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1153
eV/atom
Formation energy
-0.0289
eV/atom
Corrected total energy
-28.3316
eV
Raw total energy
-28.3316
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
0.7946
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_1490_spg12

Decomposition

NaH7 Ge NaH

Computed at

2025-05-27 17:28:55

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: agm007332033).

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 agm007332033
data_agm007332033
_cell_length_a     4.77415
_cell_length_b     4.77415
_cell_length_c     7.24551
_cell_angle_alpha  63.49463
_cell_angle_beta   116.50537
_cell_angle_gamma  115.28694
_cell_volume       126.77967
_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
  Na1 Na 0.00041 0.99959 0.00008 1.00000
  Na2 Na 0.50020 0.49980 0.50027 1.00000
  Ge1 Ge 0.27124 0.72876 0.71538 1.00000
  Ge2 Ge 0.72926 0.27074 0.28527 1.00000
  H1 H 0.98482 0.56530 0.82429 1.00000
  H2 H 0.01567 0.43412 0.17648 1.00000
  H3 H 0.00022 0.99978 0.50040 1.00000
  H4 H 0.43470 0.01518 0.82429 1.00000
  H5 H 0.56588 0.98433 0.17648 1.00000
Get direct link