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LaNi4Pt

Alexandria ALEX

Alex-ID: agm003201159 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
LaNi4Pt
Alex-ID
agm003201159
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
91.29
ų
Cell a
5.1931
Å
Cell b
5.1931
Å
Cell c
4.0403
Å
α angle
90.00
°
β angle
90.00
°
γ angle
123.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaNi4Pt
La
1.00 · 16.7%
Ni
4.00 · 66.7%
Pt
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4480
eV/atom
Corrected total energy
-36.8389
eV
Raw total energy
-36.8389
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0088
eV
DOS at Fermi level
7.0276
Total magnetisation
1.0365
μB

Additional Information

Prototype ID

ABC4_28_spg187

Decomposition

LaNi4Pt

Computed at

2021-12-03 03:48:57.078291

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: agm003201159).

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 agm003201159
data_agm003201159
_cell_length_a     5.19307
_cell_length_b     5.19307
_cell_length_c     4.04028
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  123.09071
_cell_volume       91.28595
_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 0.50000 0.50000 0.00000 1.00000
  Ni1 Ni 0.18238 0.81762 0.00000 1.00000
  Ni2 Ni 0.81762 0.18238 0.00000 1.00000
  Ni3 Ni 0.00000 0.50000 0.50000 1.00000
  Ni4 Ni 0.50000 0.00000 0.50000 1.00000
  Pt1 Pt 0.00000 0.00000 0.50000 1.00000
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