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Co3W2

Alexandria ALEX

Alex-ID: agm005506482 · Space group: Fdd2 (#43)

Basic Information

Formula
Co3W2
Alex-ID
agm005506482
Elements
2
Sites
10
Space group
Fdd2 (#43)
Crystal system
orthorhombic
Volume
126.37
ų
Cell a
7.2659
Å
Cell b
6.5002
Å
Cell c
4.8609
Å
α angle
78.05
°
β angle
61.07
°
γ angle
40.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co3W2
Co
6.00 · 60.0%
W
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1431
eV/atom
Formation energy
0.0888
eV/atom
Corrected total energy
-93.6675
eV
Raw total energy
-93.6675
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0283
eV
DOS at Fermi level
9.9679
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_55_spg43

Decomposition

Co3W W

Computed at

2023-03-20 05:11:45.916700

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: agm005506482).

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 agm005506482
data_agm005506482
_cell_length_a     7.26589
_cell_length_b     6.50022
_cell_length_c     4.86088
_cell_angle_alpha  78.04713
_cell_angle_beta   61.07154
_cell_angle_gamma  40.88132
_cell_volume       126.36720
_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 0.46671 0.31831 0.42370 1.00000
  Co2 Co 0.79128 0.42370 0.31831 1.00000
  Co3 Co 0.93169 0.78329 0.45872 1.00000
  Co4 Co 0.82630 0.45872 0.78329 1.00000
  Co5 Co 0.00425 0.99575 0.99575 1.00000
  Co6 Co 0.25425 0.24575 0.24575 1.00000
  W1 W 0.49999 0.39539 0.86685 1.00000
  W2 W 0.23777 0.86685 0.39539 1.00000
  W3 W 0.85461 0.75001 0.01223 1.00000
  W4 W 0.38315 0.01223 0.75001 1.00000
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