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LaZn2(GaPt)2

Alexandria ALEX

Alex-ID: agm024374182 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
LaZn2(GaPt)2
Alex-ID
agm024374182
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
135.16
ų
Cell a
8.5026
Å
Cell b
8.5026
Å
Cell c
8.5026
Å
α angle
29.89
°
β angle
29.89
°
γ angle
29.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaZn2(GaPt)2
La
1.00 · 14.3%
Zn
2.00 · 28.6%
Ga
2.00 · 28.6%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0747
eV/atom
Formation energy
-0.6766
eV/atom
Corrected total energy
-30.4548
eV
Raw total energy
-30.4548
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.9043
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_67_spg12

Decomposition

La2Ga5Pt3 La(Zn2Pt)2 Zn3Pt

Computed at

2025-05-18 09:44:07

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: agm024374182).

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 agm024374182
data_agm024374182
_cell_length_a     8.50259
_cell_length_b     8.50259
_cell_length_c     8.50259
_cell_angle_alpha  29.88611
_cell_angle_beta   29.88611
_cell_angle_gamma  29.88611
_cell_volume       135.16071
_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 0.00000 1.00000
  Zn1 Zn 0.86299 0.86299 0.86299 1.00000
  Zn2 Zn 0.13701 0.13701 0.13701 1.00000
  Ga1 Ga 0.41606 0.41606 0.41606 1.00000
  Ga2 Ga 0.58394 0.58394 0.58394 1.00000
  Pt1 Pt 0.24527 0.24527 0.24527 1.00000
  Pt2 Pt 0.75473 0.75473 0.75473 1.00000
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