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RuW2

Alexandria ALEX

Alex-ID: agm006216622 · Space group: P4_2/mnm (#136)

Alexandria Database API

Basic Information

Formula
RuW2
Alex-ID
agm006216622
Elements
2
Sites
30
Space group
P4_2/mnm (#136)
Crystal system
tetragonal
Volume
471.29
ų
Cell a
9.5801
Å
Cell b
9.5801
Å
Cell c
5.1351
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RuW2
Ru
10.00 · 33.3%
W
20.00 · 66.7%

Energy & Stability

Energy above hull
0.2194
eV/atom
Formation energy
0.1908
eV/atom
Corrected total energy
-346.0979
eV
Raw total energy
-346.0979
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0097
eV
DOS at Fermi level
28.8976
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_8323_spg136

Decomposition

Ru3W W

Computed at

2023-12-02 06:48:37.349125

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: agm006216622).

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 agm006216622
data_agm006216622
_cell_length_a     9.58012
_cell_length_b     9.58012
_cell_length_c     5.13508
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       471.29054
_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 0.00000 0.00000 0.00000 1.00000
  Ru2 Ru 0.50000 0.50000 0.50000 1.00000
  Ru3 Ru 0.31588 0.31588 0.24819 1.00000
  Ru4 Ru 0.68412 0.68412 0.24819 1.00000
  Ru5 Ru 0.18412 0.81588 0.74819 1.00000
  Ru6 Ru 0.81588 0.18412 0.74819 1.00000
  Ru7 Ru 0.18412 0.81588 0.25181 1.00000
  Ru8 Ru 0.81588 0.18412 0.25181 1.00000
  Ru9 Ru 0.31588 0.31588 0.75181 1.00000
  Ru10 Ru 0.68412 0.68412 0.75181 1.00000
  W1 W 0.40103 0.59897 0.00000 1.00000
  W2 W 0.59897 0.40103 0.00000 1.00000
  W3 W 0.90103 0.90103 0.50000 1.00000
  W4 W 0.09897 0.09897 0.50000 1.00000
  W5 W 0.13178 0.53724 0.00000 1.00000
  W6 W 0.86822 0.46276 0.00000 1.00000
  W7 W 0.96276 0.63178 0.50000 1.00000
  W8 W 0.03724 0.36822 0.50000 1.00000
  W9 W 0.36822 0.03724 0.50000 1.00000
  W10 W 0.63178 0.96276 0.50000 1.00000
  W11 W 0.53724 0.13178 0.00000 1.00000
  W12 W 0.46276 0.86822 0.00000 1.00000
  W13 W 0.06153 0.25800 0.00000 1.00000
  W14 W 0.93847 0.74200 0.00000 1.00000
  W15 W 0.24200 0.56153 0.50000 1.00000
  W16 W 0.75800 0.43847 0.50000 1.00000
  W17 W 0.43847 0.75800 0.50000 1.00000
  W18 W 0.56153 0.24200 0.50000 1.00000
  W19 W 0.25800 0.06153 0.00000 1.00000
  W20 W 0.74200 0.93847 0.00000 1.00000
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