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Co2W3

Alexandria ALEX

Alex-ID: agm005507979 · Space group: Fdd2 (#43)

Basic Information

Formula
Co2W3
Alex-ID
agm005507979
Elements
2
Sites
10
Space group
Fdd2 (#43)
Crystal system
orthorhombic
Volume
140.30
ų
Cell a
7.9647
Å
Cell b
6.8402
Å
Cell c
5.2378
Å
α angle
81.34
°
β angle
58.11
°
γ angle
40.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2W3
Co
4.00 · 40.0%
W
6.00 · 60.0%

Energy & Stability

Energy above hull
0.2478
eV/atom
Formation energy
0.2116
eV/atom
Corrected total energy
-104.0985
eV
Raw total energy
-104.0985
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0347
eV
DOS at Fermi level
9.9983
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

A2B3_55_spg43

Decomposition

Co3W W

Computed at

2023-03-20 05:10:33.700526

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: agm005507979).

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 agm005507979
data_agm005507979
_cell_length_a     7.96474
_cell_length_b     6.84020
_cell_length_c     5.23784
_cell_angle_alpha  81.34250
_cell_angle_beta   58.10572
_cell_angle_gamma  40.55178
_cell_volume       140.29660
_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 0.89675 0.19594 0.54354 1.00000
  Co2 Co 0.36377 0.54354 0.19594 1.00000
  Co3 Co 0.05406 0.35325 0.88623 1.00000
  Co4 Co 0.70646 0.88623 0.35325 1.00000
  W1 W 0.46700 0.74936 0.42768 1.00000
  W2 W 0.35596 0.42768 0.74936 1.00000
  W3 W 0.50064 0.78300 0.89404 1.00000
  W4 W 0.82232 0.89404 0.78300 1.00000
  W5 W 0.91652 0.08348 0.08348 1.00000
  W6 W 0.16652 0.33348 0.33348 1.00000
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