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La2CoSn3

Alexandria ALEX

Alex-ID: agm005818366 · Space group: Cm (#8)

Basic Information

Formula
La2CoSn3
Alex-ID
agm005818366
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
155.61
ų
Cell a
4.6854
Å
Cell b
6.2087
Å
Cell c
6.2773
Å
α angle
75.49
°
β angle
68.09
°
γ angle
67.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2CoSn3
La
2.00 · 33.3%
Co
1.00 · 16.7%
Sn
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0923
eV/atom
Formation energy
-0.5423
eV/atom
Corrected total energy
-32.2410
eV
Raw total energy
-32.2410
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1306
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_139_spg8

Decomposition

La2Sn3 Co

Computed at

2023-08-17 11:46:13.343910

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: agm005818366).

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 agm005818366
data_agm005818366
_cell_length_a     4.68543
_cell_length_b     6.20867
_cell_length_c     6.27730
_cell_angle_alpha  75.48653
_cell_angle_beta   68.08665
_cell_angle_gamma  67.83163
_cell_volume       155.60516
_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 0.54852 0.17973 0.72323 1.00000
  La2 La 0.41865 0.84833 0.31436 1.00000
  Co1 Co 0.17834 0.37768 0.26564 1.00000
  Sn1 Sn 0.89423 0.58199 0.62955 1.00000
  Sn2 Sn 0.78799 0.28182 0.14220 1.00000
  Sn3 Sn 0.17227 0.73046 0.92501 1.00000
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