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InGe(H4Pt)2

Alexandria ALEX

Alex-ID: agm007474490 · Space group: P-1 (#2)

Alexandria Database API

Basic Information

Formula
InGe(H4Pt)2
Alex-ID
agm007474490
Elements
4
Sites
12
Space group
P-1 (#2)
Crystal system
triclinic
Volume
131.40
ų
Cell a
4.6884
Å
Cell b
4.6394
Å
Cell c
7.0532
Å
α angle
85.36
°
β angle
104.12
°
γ angle
117.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
InGe(H4Pt)2
In
1.00 · 8.3%
Ge
1.00 · 8.3%
H
8.00 · 66.7%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1898
eV/atom
Formation energy
0.0247
eV/atom
Corrected total energy
-45.1851
eV
Raw total energy
-45.1851
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.1667
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D8_757_spg148

Decomposition

InGePt2 H2

Computed at

2024-02-08 07:18:10

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: agm007474490).

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 agm007474490
data_agm007474490
_cell_length_a     4.68841
_cell_length_b     4.63942
_cell_length_c     7.05325
_cell_angle_alpha  85.35803
_cell_angle_beta   104.11967
_cell_angle_gamma  117.89537
_cell_volume       131.39670
_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 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  H1 H 0.00467 0.33013 0.38011 1.00000
  H2 H 0.59280 0.79020 0.27660 1.00000
  H3 H 0.99533 0.66987 0.61989 1.00000
  H4 H 0.40720 0.20980 0.72340 1.00000
  H5 H 0.19612 0.47515 0.91209 1.00000
  H6 H 0.80388 0.52485 0.08791 1.00000
  H7 H 0.58788 0.82910 0.72737 1.00000
  H8 H 0.41212 0.17090 0.27263 1.00000
  Pt1 Pt 0.29907 0.84344 0.81583 1.00000
  Pt2 Pt 0.70093 0.15656 0.18417 1.00000
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