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MnV(Co2Si)2

Alexandria ALEX

Alex-ID: agm005496299 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
MnV(Co2Si)2
Alex-ID
agm005496299
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
90.55
ų
Cell a
6.9255
Å
Cell b
6.9255
Å
Cell c
6.9255
Å
α angle
33.59
°
β angle
33.59
°
γ angle
33.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
MnV(Co2Si)2
Mn
1.00 · 12.5%
V
1.00 · 12.5%
Co
4.00 · 50.0%
Si
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0187
eV/atom
Formation energy
-0.4239
eV/atom
Corrected total energy
-61.0203
eV
Raw total energy
-61.0203
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1202
Total magnetisation
8.0596
μB

Additional Information

Prototype ID

ABC2D4_78_spg166

Decomposition

Co2Si VCo3 MnCo2Si VCoSi

Computed at

2023-03-19 04:07:42.734028

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: agm005496299).

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 agm005496299
data_agm005496299
_cell_length_a     6.92547
_cell_length_b     6.92547
_cell_length_c     6.92547
_cell_angle_alpha  33.58776
_cell_angle_beta   33.58776
_cell_angle_gamma  33.58776
_cell_volume       90.55200
_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 0.00000 0.00000 0.00000 1.00000
  V1 V 0.50000 0.50000 0.50000 1.00000
  Co1 Co 0.62440 0.62440 0.62440 1.00000
  Co2 Co 0.12522 0.12522 0.12522 1.00000
  Co3 Co 0.87478 0.87478 0.87478 1.00000
  Co4 Co 0.37560 0.37560 0.37560 1.00000
  Si1 Si 0.25037 0.25037 0.25037 1.00000
  Si2 Si 0.74963 0.74963 0.74963 1.00000
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