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SrLa3Pt

Alexandria ALEX

Alex-ID: agm003148043 · Space group: Imma (#74)

Alexandria Database API

Basic Information

Formula
SrLa3Pt
Alex-ID
agm003148043
Elements
3
Sites
20
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
791.08
ų
Cell a
8.2814
Å
Cell b
11.6973
Å
Cell c
8.1665
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLa3Pt
Sr
4.00 · 20.0%
Pt
4.00 · 20.0%
La
12.00 · 60.0%

Energy & Stability

Energy above hull
0.1454
eV/atom
Formation energy
-0.3721
eV/atom
Corrected total energy
-97.6814
eV
Raw total energy
-97.6814
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
45.0710
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC3_1212_spg74

Decomposition

La7Pt3 Sr La

Computed at

2016-04-30 14:33:13

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: agm003148043).

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 agm003148043
data_agm003148043
_cell_length_a     8.28139
_cell_length_b     11.69726
_cell_length_c     8.16646
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       791.08082
_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
  Sr1 Sr 0.49985 0.25000 0.44698 1.00000
  Sr2 Sr 0.00015 0.75000 0.94698 1.00000
  Sr3 Sr 0.50015 0.75000 0.55302 1.00000
  Sr4 Sr 0.99985 0.25000 0.05302 1.00000
  Pt1 Pt 0.00000 0.00000 0.50000 1.00000
  Pt2 Pt 0.50000 0.50000 0.00000 1.00000
  Pt3 Pt 0.50000 0.00000 0.00000 1.00000
  Pt4 Pt 0.00000 0.50000 0.50000 1.00000
  La1 La 0.25026 0.02187 0.74956 1.00000
  La2 La 0.24974 0.52187 0.24956 1.00000
  La3 La 0.24974 0.97813 0.24956 1.00000
  La4 La 0.74974 0.52187 0.25044 1.00000
  La5 La 0.74974 0.97813 0.25044 1.00000
  La6 La 0.75026 0.47813 0.75044 1.00000
  La7 La 0.75026 0.02187 0.75044 1.00000
  La8 La 0.25026 0.47813 0.74956 1.00000
  La9 La 0.49969 0.25000 0.95649 1.00000
  La10 La 0.00031 0.75000 0.45649 1.00000
  La11 La 0.50031 0.75000 0.04351 1.00000
  La12 La 0.99969 0.25000 0.54351 1.00000
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