Navigation

HEAS Data Platform · Materials Science Database

MnVGa5

Alexandria ALEX

Alex-ID: agm005278715 · Space group: Cmmm (#65)

Basic Information

Formula
MnVGa5
Alex-ID
agm005278715
Elements
3
Sites
14
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
212.92
ų
Cell a
8.8982
Å
Cell b
8.8982
Å
Cell c
2.6891
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
MnVGa5
Mn
2.00 · 14.3%
V
2.00 · 14.3%
Ga
10.00 · 71.4%

Energy & Stability

Energy above hull
0.0287
eV/atom
Formation energy
-0.1722
eV/atom
Corrected total energy
-69.2807
eV
Raw total energy
-69.2807
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0079
eV
DOS at Fermi level
5.1419
Total magnetisation
5.2777
μB

Additional Information

Prototype ID

ABC5_210_spg65

Decomposition

Mn4V3Ga MnGa4 V2Ga5

Computed at

2023-05-06 21:13:21.909830

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: agm005278715).

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 agm005278715
data_agm005278715
_cell_length_a     8.89817
_cell_length_b     8.89817
_cell_length_c     2.68914
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.02809
_cell_volume       212.91889
_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
  Mn1 Mn 0.82124 0.17876 0.50000 1.00000
  Mn2 Mn 0.17876 0.82124 0.50000 1.00000
  V1 V 0.32007 0.32007 0.50000 1.00000
  V2 V 0.67993 0.67993 0.50000 1.00000
  Ga1 Ga 0.93903 0.70504 0.00000 1.00000
  Ga2 Ga 0.06097 0.29496 0.00000 1.00000
  Ga3 Ga 0.43590 0.79501 0.00000 1.00000
  Ga4 Ga 0.56410 0.20499 0.00000 1.00000
  Ga5 Ga 0.20499 0.56410 0.00000 1.00000
  Ga6 Ga 0.79501 0.43590 0.00000 1.00000
  Ga7 Ga 0.29496 0.06097 0.00000 1.00000
  Ga8 Ga 0.70504 0.93903 0.00000 1.00000
  Ga9 Ga 0.00000 0.00000 0.00000 1.00000
  Ga10 Ga 0.50000 0.50000 0.00000 1.00000
Get direct link