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HEAS Data Platform · Materials Science Database

In7W

Alexandria ALEX

Alex-ID: agm005498050 · Space group: Fm-3m (#225)

Basic Information

Formula
In7W
Alex-ID
agm005498050
Elements
2
Sites
8
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
184.62
ų
Cell a
6.3915
Å
Cell b
6.3915
Å
Cell c
6.3915
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In7W
In
7.00 · 87.5%
W
1.00 · 12.5%

Energy & Stability

Energy above hull
0.4619
eV/atom
Formation energy
0.4619
eV/atom
Corrected total energy
-28.6454
eV
Raw total energy
-28.6454
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.5067
Total magnetisation
-0.0013
μB

Additional Information

Prototype ID

AB7_0_spg225

Decomposition

W In

Computed at

2023-03-18 23:21:56.746382

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: agm005498050).

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 agm005498050
data_agm005498050
_cell_length_a     6.39148
_cell_length_b     6.39148
_cell_length_c     6.39148
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       184.62430
_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
  In1 In 0.50000 0.50000 0.00000 1.00000
  In2 In 0.50000 0.00000 0.50000 1.00000
  In3 In 0.50000 0.00000 0.00000 1.00000
  In4 In 0.00000 0.00000 0.50000 1.00000
  In5 In 0.00000 0.50000 0.00000 1.00000
  In6 In 0.00000 0.50000 0.50000 1.00000
  In7 In 0.50000 0.50000 0.50000 1.00000
  W1 W 0.00000 0.00000 0.00000 1.00000
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