Navigation

HEAS Data Platform · Materials Science Database

LaIn8GePt4

Alexandria ALEX

Alex-ID: agm018607259 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
LaIn8GePt4
Alex-ID
agm018607259
Elements
4
Sites
28
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
640.08
ų
Cell a
6.4257
Å
Cell b
6.4257
Å
Cell c
16.1422
Å
α angle
78.62
°
β angle
101.38
°
γ angle
90.06
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaIn8GePt4
La
2.00 · 7.1%
In
16.00 · 57.1%
Ge
2.00 · 7.1%
Pt
8.00 · 28.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5379
eV/atom
Corrected total energy
-127.1691
eV
Raw total energy
-127.1691
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0173
eV
DOS at Fermi level
11.3259
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4D8_20_spg139

Decomposition

LaIn8GePt4

Computed at

2025-01-14 15:46:30

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: agm018607259).

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 agm018607259
data_agm018607259
_cell_length_a     6.42574
_cell_length_b     6.42574
_cell_length_c     16.14218
_cell_angle_alpha  78.62413
_cell_angle_beta   101.37587
_cell_angle_gamma  90.06153
_cell_volume       640.08483
_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
  La1 La 0.25006 0.25006 0.00000 1.00000
  La2 La 0.74994 0.74994 0.00000 1.00000
  In1 In 0.40440 0.59560 0.81443 1.00000
  In2 In 0.59560 0.40440 0.18557 1.00000
  In3 In 0.91018 0.08982 0.81439 1.00000
  In4 In 0.91004 0.59572 0.81431 1.00000
  In5 In 0.59572 0.91004 0.18569 1.00000
  In6 In 0.08982 0.91018 0.18561 1.00000
  In7 In 0.08996 0.40428 0.18569 1.00000
  In8 In 0.40428 0.08996 0.81431 1.00000
  In9 In 0.30325 0.69675 0.60497 1.00000
  In10 In 0.69675 0.30325 0.39503 1.00000
  In11 In 0.80124 0.19876 0.60498 1.00000
  In12 In 0.80173 0.69598 0.60531 1.00000
  In13 In 0.69598 0.80173 0.39469 1.00000
  In14 In 0.19876 0.80124 0.39502 1.00000
  In15 In 0.19827 0.30402 0.39469 1.00000
  In16 In 0.30402 0.19827 0.60531 1.00000
  Ge1 Ge 0.28687 0.71313 0.07342 1.00000
  Ge2 Ge 0.71313 0.28687 0.92658 1.00000
  Pt1 Pt 0.20880 0.79120 0.91820 1.00000
  Pt2 Pt 0.79120 0.20880 0.08180 1.00000
  Pt3 Pt 0.00000 0.00000 0.50000 1.00000
  Pt4 Pt 0.10645 0.39381 0.71164 1.00000
  Pt5 Pt 0.89355 0.60619 0.28836 1.00000
  Pt6 Pt 0.60619 0.89355 0.71164 1.00000
  Pt7 Pt 0.39381 0.10645 0.28836 1.00000
  Pt8 Pt 0.50000 0.50000 0.50000 1.00000
Get direct link