Navigation

HEAS Data Platform · Materials Science Database

In10NiPt4

Alexandria ALEX

Alex-ID: agm022594486 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
In10NiPt4
Alex-ID
agm022594486
Elements
3
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
334.05
ų
Cell a
18.8478
Å
Cell b
18.8478
Å
Cell c
18.8478
Å
α angle
13.85
°
β angle
13.85
°
γ angle
13.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In10NiPt4
In
10.00 · 66.7%
Ni
1.00 · 6.7%
Pt
4.00 · 26.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3805
eV/atom
Corrected total energy
-63.5399
eV
Raw total energy
-63.5399
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4266
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10_8_spg166

Decomposition

In10NiPt4

Computed at

2024-12-31 14:16:18

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: agm022594486).

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 agm022594486
data_agm022594486
_cell_length_a     18.84776
_cell_length_b     18.84776
_cell_length_c     18.84776
_cell_angle_alpha  13.85336
_cell_angle_beta   13.85336
_cell_angle_gamma  13.85336
_cell_volume       334.04553
_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 0.04766 0.04766 0.04766 1.00000
  In2 In 0.85009 0.85009 0.85009 1.00000
  In3 In 0.44889 0.44889 0.44889 1.00000
  In4 In 0.65209 0.65209 0.65209 1.00000
  In5 In 0.25127 0.25127 0.25127 1.00000
  In6 In 0.34791 0.34791 0.34791 1.00000
  In7 In 0.14991 0.14991 0.14991 1.00000
  In8 In 0.74873 0.74873 0.74873 1.00000
  In9 In 0.95234 0.95234 0.95234 1.00000
  In10 In 0.55111 0.55111 0.55111 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.60147 0.60147 0.60147 1.00000
  Pt2 Pt 0.20054 0.20054 0.20054 1.00000
  Pt3 Pt 0.79946 0.79946 0.79946 1.00000
  Pt4 Pt 0.39853 0.39853 0.39853 1.00000
Get direct link