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La6CoPtAu2

Alexandria ALEX

Alex-ID: agm004969770 · Space group: P2_1/c (#14)

Alexandria Database API

Basic Information

Formula
La6CoPtAu2
Alex-ID
agm004969770
Elements
4
Sites
20
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
608.47
ų
Cell a
7.1397
Å
Cell b
7.8332
Å
Cell c
10.8799
Å
α angle
90.00
°
β angle
89.66
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La6CoPtAu2
La
12.00 · 60.0%
Co
2.00 · 10.0%
Pt
2.00 · 10.0%
Au
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0439
eV/atom
Formation energy
-0.5902
eV/atom
Corrected total energy
-110.4665
eV
Raw total energy
-110.4665
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.1721
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D6_406_spg14

Decomposition

La5CoAu2 LaPt

Computed at

2022-07-22 11:16:56.197337

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: agm004969770).

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 agm004969770
data_agm004969770
_cell_length_a     7.13968
_cell_length_b     7.83322
_cell_length_c     10.87993
_cell_angle_alpha  90.00000
_cell_angle_beta   89.66087
_cell_angle_gamma  90.00000
_cell_volume       608.46804
_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 0.30939 0.67409 0.06546 1.00000
  La2 La 0.80939 0.82591 0.56546 1.00000
  La3 La 0.69061 0.32591 0.93454 1.00000
  La4 La 0.19061 0.17409 0.43454 1.00000
  La5 La 0.33396 0.69114 0.42900 1.00000
  La6 La 0.83396 0.80886 0.92900 1.00000
  La7 La 0.66604 0.30886 0.57100 1.00000
  La8 La 0.16604 0.19114 0.07100 1.00000
  La9 La 0.85903 0.53467 0.24530 1.00000
  La10 La 0.35903 0.96533 0.74530 1.00000
  La11 La 0.14097 0.46533 0.75470 1.00000
  La12 La 0.64097 0.03467 0.25470 1.00000
  Co1 Co 0.50000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Pt1 Pt 0.50000 0.00000 0.00000 1.00000
  Pt2 Pt 0.00000 0.50000 0.50000 1.00000
  Au1 Au 0.05095 0.89192 0.25058 1.00000
  Au2 Au 0.55095 0.60808 0.75058 1.00000
  Au3 Au 0.94905 0.10808 0.74942 1.00000
  Au4 Au 0.44905 0.39192 0.24942 1.00000
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