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Li2V2SiGeO10

Alexandria ALEX

Alex-ID: agm003217907 · Space group: Pm (#6)

Alexandria Database API

Basic Information

Formula
Li2V2SiGeO10
Alex-ID
agm003217907
Elements
5
Sites
16
Space group
Pm (#6)
Crystal system
monoclinic
Volume
196.24
ų
Cell a
6.3431
Å
Cell b
4.7789
Å
Cell c
6.4912
Å
α angle
85.78
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Li2V2SiGeO10
Li
2.00 · 12.5%
V
2.00 · 12.5%
Si
1.00 · 6.3%
Ge
1.00 · 6.3%
O
10.00 · 62.5%

Energy & Stability

Energy above hull
0.0515
eV/atom
Formation energy
-2.4816
eV/atom
Corrected total energy
-121.3924
eV
Raw total energy
-111.0055
eV

Electronic Structure

Indirect band gap
2.1872
eV
Direct band gap
2.4376
eV
DOS at Fermi level
0.0000
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D2E10_19_spg6

Decomposition

LiVO3 SiO2 GeO2

Computed at

2021-12-06 08:56:50.185148

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: agm003217907).

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 agm003217907
data_agm003217907
_cell_length_a     6.34314
_cell_length_b     4.77887
_cell_length_c     6.49120
_cell_angle_alpha  85.78225
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       196.23514
_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
  Li1 Li 0.25827 0.00103 0.50671 1.00000
  Li2 Li 0.74173 0.00103 0.50671 1.00000
  V1 V 0.00000 0.39424 0.74580 1.00000
  V2 V 0.50000 0.60493 0.24752 1.00000
  Si1 Si 0.50000 0.48304 0.74512 1.00000
  Ge1 Ge 0.00000 0.51764 0.25031 1.00000
  O1 O 0.50000 0.62905 0.96724 1.00000
  O2 O 0.00000 0.73532 0.69571 1.00000
  O3 O 0.71238 0.28514 0.73125 1.00000
  O4 O 0.28762 0.28514 0.73125 1.00000
  O5 O 0.50000 0.72641 0.55304 1.00000
  O6 O 0.00000 0.25855 0.45878 1.00000
  O7 O 0.22369 0.73834 0.26375 1.00000
  O8 O 0.77631 0.73834 0.26375 1.00000
  O9 O 0.50000 0.26539 0.30863 1.00000
  O10 O 0.00000 0.33641 0.02442 1.00000
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