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Sr5W

Alexandria ALEX

Alex-ID: agm005425924 · Space group: Cmmm (#65)

Basic Information

Formula
Sr5W
Alex-ID
agm005425924
Elements
2
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
246.83
ų
Cell a
7.9433
Å
Cell b
7.9433
Å
Cell c
5.7865
Å
α angle
90.00
°
β angle
90.00
°
γ angle
137.46
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr5W
Sr
5.00 · 83.3%
W
1.00 · 16.7%

Energy & Stability

Energy above hull
0.7411
eV/atom
Formation energy
0.7411
eV/atom
Corrected total energy
-16.9541
eV
Raw total energy
-16.9541
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
7.1261
Total magnetisation
3.1194
μB

Additional Information

Prototype ID

AB5_8_spg65

Decomposition

W Sr

Computed at

2023-03-22 00:16:19.761507

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: agm005425924).

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 agm005425924
data_agm005425924
_cell_length_a     7.94326
_cell_length_b     7.94326
_cell_length_c     5.78647
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  137.46396
_cell_volume       246.82672
_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
  Sr1 Sr 0.99142 0.00858 0.00000 1.00000
  Sr2 Sr 0.28635 0.71365 0.00000 1.00000
  Sr3 Sr 0.63889 0.36111 0.00000 1.00000
  Sr4 Sr 0.49198 0.50802 0.50000 1.00000
  Sr5 Sr 0.78580 0.21420 0.50000 1.00000
  W1 W 0.13889 0.86111 0.50000 1.00000
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