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Co2W

Alexandria ALEX

Alex-ID: agm005509741 · Space group: Imma (#74)

Basic Information

Formula
Co2W
Alex-ID
agm005509741
Elements
2
Sites
12
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
157.33
ų
Cell a
2.5952
Å
Cell b
3.8603
Å
Cell c
15.7040
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2W
Co
8.00 · 66.7%
W
4.00 · 33.3%

Energy & Stability

Energy above hull
0.4082
eV/atom
Formation energy
0.3478
eV/atom
Corrected total energy
-104.6296
eV
Raw total energy
-104.6296
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0040
eV
DOS at Fermi level
14.7936
Total magnetisation
0.2680
μB

Additional Information

Prototype ID

AB2_1941_spg74

Decomposition

Co3W W

Computed at

2023-04-02 00:54:23

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: agm005509741).

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 agm005509741
data_agm005509741
_cell_length_a     2.59522
_cell_length_b     3.86026
_cell_length_c     15.70400
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       157.32598
_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 0.00000 0.25000 0.04055 1.00000
  Co2 Co 0.00000 0.25000 0.19133 1.00000
  Co3 Co 0.00000 0.75000 0.80867 1.00000
  Co4 Co 0.00000 0.75000 0.95945 1.00000
  Co5 Co 0.50000 0.25000 0.30867 1.00000
  Co6 Co 0.50000 0.25000 0.45945 1.00000
  Co7 Co 0.50000 0.75000 0.54055 1.00000
  Co8 Co 0.50000 0.75000 0.69133 1.00000
  W1 W 0.00000 0.25000 0.61343 1.00000
  W2 W 0.00000 0.75000 0.38657 1.00000
  W3 W 0.50000 0.25000 0.88657 1.00000
  W4 W 0.50000 0.75000 0.11343 1.00000
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