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K2Ge2Pt

Alexandria ALEX

Alex-ID: agm003390232 · Space group: C2/m (#12)

Basic Information

Formula
K2Ge2Pt
Alex-ID
agm003390232
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
281.37
ų
Cell a
4.5948
Å
Cell b
6.7832
Å
Cell c
9.8698
Å
α angle
86.96
°
β angle
76.54
°
γ angle
70.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K2Ge2Pt
K
4.00 · 40.0%
Ge
4.00 · 40.0%
Pt
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1004
eV/atom
Formation energy
-0.2497
eV/atom
Corrected total energy
-37.5508
eV
Raw total energy
-37.5508
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0871
eV
DOS at Fermi level
4.4228
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_33_spg12

Decomposition

KGePt KGe

Computed at

2022-02-10 23:00:34.222017

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: agm003390232).

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 agm003390232
data_agm003390232
_cell_length_a     4.59478
_cell_length_b     6.78317
_cell_length_c     9.86981
_cell_angle_alpha  86.95765
_cell_angle_beta   76.53983
_cell_angle_gamma  70.20295
_cell_volume       281.37198
_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 0.64816 0.37040 0.33328 1.00000
  K2 K 0.89943 0.30456 0.89657 1.00000
  K3 K 0.35184 0.62960 0.66672 1.00000
  K4 K 0.10057 0.69544 0.10343 1.00000
  Ge1 Ge 0.13724 0.15419 0.57133 1.00000
  Ge2 Ge 0.60837 0.89439 0.88886 1.00000
  Ge3 Ge 0.86276 0.84581 0.42867 1.00000
  Ge4 Ge 0.39163 0.10561 0.11114 1.00000
  Pt1 Pt 0.64282 0.05659 0.65778 1.00000
  Pt2 Pt 0.35718 0.94341 0.34222 1.00000
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