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RuW

Alexandria ALEX

Alex-ID: agm005431958 · Space group: Cm (#8)

Basic Information

Formula
RuW
Alex-ID
agm005431958
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
90.41
ų
Cell a
5.3262
Å
Cell b
5.3262
Å
Cell c
6.5601
Å
α angle
75.49
°
β angle
75.49
°
γ angle
30.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RuW
Ru
3.00 · 50.0%
W
3.00 · 50.0%

Energy & Stability

Energy above hull
0.1092
eV/atom
Formation energy
0.0662
eV/atom
Corrected total energy
-66.2896
eV
Raw total energy
-66.2896
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0248
eV
DOS at Fermi level
4.7646
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB_37_spg8

Decomposition

Ru3W W

Computed at

2023-03-21 19:25:20.798774

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: agm005431958).

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 agm005431958
data_agm005431958
_cell_length_a     5.32620
_cell_length_b     5.32620
_cell_length_c     6.56011
_cell_angle_alpha  75.49400
_cell_angle_beta   75.49400
_cell_angle_gamma  30.19998
_cell_volume       90.40661
_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 0.99890 0.99890 0.00344 1.00000
  Ru2 Ru 0.60904 0.60904 0.27337 1.00000
  Ru3 Ru 0.66699 0.66699 0.66602 1.00000
  W1 W 0.33229 0.33229 0.33315 1.00000
  W2 W 0.95651 0.95651 0.61477 1.00000
  W3 W 0.26960 0.26960 0.94258 1.00000
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