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Sr2AlVGe2O9F

Alexandria ALEX

Alex-ID: agm010342405 · Space group: P1 (#1)

Alexandria Database API

Basic Information

Formula
Sr2AlVGe2O9F
Alex-ID
agm010342405
Elements
6
Sites
16
Space group
P1 (#1)
Crystal system
triclinic
Volume
206.06
ų
Cell a
5.6287
Å
Cell b
5.7339
Å
Cell c
7.3030
Å
α angle
105.39
°
β angle
103.78
°
γ angle
105.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2AlVGe2O9F
Sr
2.00 · 12.5%
Al
1.00 · 6.3%
V
1.00 · 6.3%
Ge
2.00 · 12.5%
O
9.00 · 56.3%
F
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0316
eV/atom
Formation energy
-2.8809
eV/atom
Corrected total energy
-117.6171
eV
Raw total energy
-109.6145
eV

Electronic Structure

Indirect band gap
1.8804
eV
Direct band gap
1.9053
eV
DOS at Fermi level
0.0000
Total magnetisation
1.0000
μB

Additional Information

Prototype ID

ABCD2E2F9_8_spg1

Decomposition

SrVGeO5 SrAl2(GeO4)2 SrF2

Computed at

2025-02-28 04:57:52

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: agm010342405).

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 agm010342405
data_agm010342405
_cell_length_a     5.62872
_cell_length_b     5.73392
_cell_length_c     7.30303
_cell_angle_alpha  105.38686
_cell_angle_beta   103.77631
_cell_angle_gamma  105.80492
_cell_volume       206.05966
_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
  Sr1 Sr 0.17089 0.83524 0.75724 1.00000
  Sr2 Sr 0.83355 0.16762 0.24044 1.00000
  Al1 Al 0.49914 0.49963 0.00272 1.00000
  V1 V 0.50587 0.49435 0.47784 1.00000
  Ge1 Ge 0.18646 0.80684 0.24796 1.00000
  Ge2 Ge 0.81247 0.19530 0.75360 1.00000
  O1 O 0.59986 0.20993 0.89760 1.00000
  O2 O 0.19926 0.60919 0.40066 1.00000
  O3 O 0.39839 0.79391 0.10239 1.00000
  O4 O 0.80430 0.39269 0.60167 1.00000
  O5 O 0.26078 0.13009 0.41210 1.00000
  O6 O 0.13510 0.27133 0.91465 1.00000
  O7 O 0.73854 0.86744 0.60056 1.00000
  O8 O 0.86308 0.73034 0.08640 1.00000
  O9 O 0.55100 0.43944 0.24749 1.00000
  F1 F 0.44129 0.55667 0.75667 1.00000
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