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RuW2

Alexandria ALEX

Alex-ID: agm005448423 · Space group: C2/m (#12)

Basic Information

Formula
RuW2
Alex-ID
agm005448423
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
93.10
ų
Cell a
5.4651
Å
Cell b
5.4651
Å
Cell c
6.5220
Å
α angle
74.70
°
β angle
74.70
°
γ angle
29.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RuW2
Ru
2.00 · 33.3%
W
4.00 · 66.7%

Energy & Stability

Energy above hull
0.1879
eV/atom
Formation energy
0.1593
eV/atom
Corrected total energy
-69.4085
eV
Raw total energy
-69.4085
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0719
eV
DOS at Fermi level
4.8827
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_2455_spg12

Decomposition

Ru3W W

Computed at

2023-03-21 19:24:10.724983

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: agm005448423).

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 agm005448423
data_agm005448423
_cell_length_a     5.46509
_cell_length_b     5.46509
_cell_length_c     6.52198
_cell_angle_alpha  74.69963
_cell_angle_beta   74.69963
_cell_angle_gamma  29.79001
_cell_volume       93.10008
_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
  Ru1 Ru 0.97756 0.97756 0.79890 1.00000
  Ru2 Ru 0.02244 0.02244 0.20110 1.00000
  W1 W 0.36509 0.36509 0.54297 1.00000
  W2 W 0.68157 0.68157 0.86896 1.00000
  W3 W 0.31843 0.31843 0.13104 1.00000
  W4 W 0.63491 0.63491 0.45703 1.00000
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