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CoSnGe

Alexandria ALEX

Alex-ID: agm005686444 · Space group: Pmma (#51)

Basic Information

Formula
CoSnGe
Alex-ID
agm005686444
Elements
3
Sites
6
Space group
Pmma (#51)
Crystal system
orthorhombic
Volume
112.85
ų
Cell a
2.9736
Å
Cell b
3.8391
Å
Cell c
9.8855
Å
α angle
90.00
°
β angle
90.11
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoSnGe
Co
2.00 · 33.3%
Sn
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1508
eV/atom
Formation energy
0.0094
eV/atom
Corrected total energy
-31.4313
eV
Raw total energy
-31.4313
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0127
eV
DOS at Fermi level
4.3393
Total magnetisation
0.6495
μB

Additional Information

Prototype ID

ABC_691_spg6

Decomposition

Sn CoGe

Computed at

2023-06-17 05:32:32.608738

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: agm005686444).

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 agm005686444
data_agm005686444
_cell_length_a     2.97358
_cell_length_b     3.83908
_cell_length_c     9.88546
_cell_angle_alpha  90.00000
_cell_angle_beta   90.11455
_cell_angle_gamma  90.00000
_cell_volume       112.85023
_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
  Co1 Co 0.49905 0.25000 0.40806 1.00000
  Co2 Co 0.50095 0.75000 0.59194 1.00000
  Sn1 Sn 0.99879 0.25000 0.15469 1.00000
  Sn2 Sn 0.00121 0.75000 0.84531 1.00000
  Ge1 Ge 0.00103 0.25000 0.61711 1.00000
  Ge2 Ge 0.99897 0.75000 0.38289 1.00000
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