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K4In2Pt

Alexandria ALEX

Alex-ID: agm096232605 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
K4In2Pt
Alex-ID
agm096232605
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
296.16
ų
Cell a
5.1817
Å
Cell b
5.6892
Å
Cell c
10.0466
Å
α angle
90.00
°
β angle
90.64
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K4In2Pt
K
4.00 · 57.1%
In
2.00 · 28.6%
Pt
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1506
eV/atom
Formation energy
-0.0393
eV/atom
Corrected total energy
-16.3113
eV
Raw total energy
-16.3113
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
4.1557
Total magnetisation
0.4597
μB

Additional Information

Prototype ID

AB2C4_6183_spg47

Decomposition

In2Pt K

Computed at

2025-04-10 20:23:20

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: agm096232605).

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 agm096232605
data_agm096232605
_cell_length_a     5.18174
_cell_length_b     5.68921
_cell_length_c     10.04660
_cell_angle_alpha  90.00000
_cell_angle_beta   90.63628
_cell_angle_gamma  90.00000
_cell_volume       296.15556
_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
  K1 K 0.67274 0.50000 0.15924 1.00000
  K2 K 0.68448 0.00000 0.67519 1.00000
  K3 K 0.32589 0.00000 0.32785 1.00000
  K4 K 0.32042 0.50000 0.83785 1.00000
  In1 In 0.00061 0.00000 0.00188 1.00000
  In2 In 0.99538 0.50000 0.49823 1.00000
  Pt1 Pt 0.50049 0.00000 0.99976 1.00000
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