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LaPmGe2Pt5

Alexandria ALEX

Alex-ID: agm005168232 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
LaPmGe2Pt5
Alex-ID
agm005168232
Elements
4
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
173.11
ų
Cell a
4.3732
Å
Cell b
4.3732
Å
Cell c
9.0516
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaPmGe2Pt5
La
1.00 · 11.1%
Pm
1.00 · 11.1%
Ge
2.00 · 22.2%
Pt
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0862
eV/atom
Formation energy
-0.8674
eV/atom
Corrected total energy
-57.1599
eV
Raw total energy
-57.1599
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3595
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_234_spg123

Decomposition

Pm3Ge2Pt7 La(GePt)2 LaGePt3

Computed at

2023-01-07 20:24:15.466301

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: agm005168232).

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 agm005168232
data_agm005168232
_cell_length_a     4.37321
_cell_length_b     4.37321
_cell_length_c     9.05156
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       173.11102
_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 0.00000 0.00000 0.50000 1.00000
  Pm1 Pm 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.50000 0.50000 0.13730 1.00000
  Ge2 Ge 0.50000 0.50000 0.86270 1.00000
  Pt1 Pt 0.00000 0.50000 0.26801 1.00000
  Pt2 Pt 0.50000 0.00000 0.26801 1.00000
  Pt3 Pt 0.00000 0.50000 0.73199 1.00000
  Pt4 Pt 0.50000 0.00000 0.73199 1.00000
  Pt5 Pt 0.50000 0.50000 0.50000 1.00000
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