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AlV4Sn

Alexandria ALEX

Alex-ID: agm005791237 · Space group: Cmmm (#65)

Basic Information

Formula
AlV4Sn
Alex-ID
agm005791237
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
90.78
ų
Cell a
4.5033
Å
Cell b
4.5293
Å
Cell c
4.9950
Å
α angle
63.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AlV4Sn
Al
1.00 · 16.7%
V
4.00 · 66.7%
Sn
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.1465
eV/atom
Corrected total energy
-45.1020
eV
Raw total energy
-45.1020
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4459
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1111_spg65

Decomposition

AlV4Sn

Computed at

2023-07-27 03:30:32.570694

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: agm005791237).

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 agm005791237
data_agm005791237
_cell_length_a     4.50326
_cell_length_b     4.52931
_cell_length_c     4.99498
_cell_angle_alpha  63.00493
_cell_angle_beta   90.00098
_cell_angle_gamma  90.00180
_cell_volume       90.78071
_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
  Al1 Al 0.00129 0.50185 0.49542 1.00000
  V1 V 0.50130 0.68456 0.12989 1.00000
  V2 V 0.50130 0.31918 0.86094 1.00000
  V3 V 0.00130 0.19402 0.11104 1.00000
  V4 V 0.00130 0.80969 0.87981 1.00000
  Sn1 Sn 0.50130 0.00187 0.49545 1.00000
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