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V7Ga3Sn

Alexandria ALEX

Alex-ID: agm005995170 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
V7Ga3Sn
Alex-ID
agm005995170
Elements
3
Sites
22
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
337.98
ų
Cell a
2.6840
Å
Cell b
10.2130
Å
Cell c
12.4375
Å
α angle
90.00
°
β angle
90.00
°
γ angle
97.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V7Ga3Sn
V
14.00 · 63.6%
Ga
6.00 · 27.3%
Sn
2.00 · 9.1%

Energy & Stability

Energy above hull
0.2350
eV/atom
Formation energy
0.0567
eV/atom
Corrected total energy
-152.5936
eV
Raw total energy
-152.5936
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0323
eV
DOS at Fermi level
17.9328
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C7_403_spg63

Decomposition

V3Ga V2Ga VSn2

Computed at

2023-08-13 04:18:09.478139

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: agm005995170).

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 agm005995170
data_agm005995170
_cell_length_a     2.68403
_cell_length_b     10.21298
_cell_length_c     12.43747
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  97.55065
_cell_volume       337.97854
_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
  V1 V 0.35744 0.71488 0.75000 1.00000
  V2 V 0.64256 0.28512 0.25000 1.00000
  V3 V 0.47113 0.94226 0.41883 1.00000
  V4 V 0.52887 0.05774 0.58117 1.00000
  V5 V 0.52887 0.05774 0.91883 1.00000
  V6 V 0.47113 0.94226 0.08117 1.00000
  V7 V 0.34083 0.68166 0.42000 1.00000
  V8 V 0.65917 0.31834 0.58000 1.00000
  V9 V 0.21787 0.43575 0.41048 1.00000
  V10 V 0.78213 0.56425 0.58952 1.00000
  V11 V 0.78213 0.56425 0.91048 1.00000
  V12 V 0.21787 0.43575 0.08952 1.00000
  V13 V 0.34083 0.68166 0.08000 1.00000
  V14 V 0.65917 0.31834 0.92000 1.00000
  Ga1 Ga 0.08821 0.17643 0.41783 1.00000
  Ga2 Ga 0.91179 0.82357 0.58217 1.00000
  Ga3 Ga 0.22548 0.45096 0.75000 1.00000
  Ga4 Ga 0.77452 0.54904 0.25000 1.00000
  Ga5 Ga 0.08821 0.17643 0.08217 1.00000
  Ga6 Ga 0.91179 0.82357 0.91783 1.00000
  Sn1 Sn 0.91655 0.83310 0.25000 1.00000
  Sn2 Sn 0.08345 0.16690 0.75000 1.00000
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