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Yb2Co2Sn

Alexandria ALEX

Alex-ID: agm002332873 · Space group: Cmmm (#65)

Basic Information

Formula
Yb2Co2Sn
Alex-ID
agm002332873
Elements
3
Sites
5
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
103.80
ų
Cell a
4.2640
Å
Cell b
3.7713
Å
Cell c
6.7299
Å
α angle
106.44
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Yb2Co2Sn
Yb
2.00 · 40.0%
Co
2.00 · 40.0%
Sn
1.00 · 20.0%

Energy & Stability

Energy above hull
0.1710
eV/atom
Formation energy
-0.2331
eV/atom
Corrected total energy
-22.4679
eV
Raw total energy
-22.4679
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0146
eV
DOS at Fermi level
3.9117
Total magnetisation
1.4874
μB

Additional Information

Prototype ID

AB2C2_4_spg65

Decomposition

Yb2Sn Co

Computed at

2019-01-31 05:25:12

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: agm002332873).

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 agm002332873
data_agm002332873
_cell_length_a     4.26401
_cell_length_b     3.77135
_cell_length_c     6.72993
_cell_angle_alpha  106.44322
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       103.79812
_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
  Yb1 Yb 0.50000 0.63685 0.27471 1.00000
  Yb2 Yb 0.50000 0.36315 0.72529 1.00000
  Co1 Co 0.00000 0.20469 0.40990 1.00000
  Co2 Co 0.00000 0.79531 0.59010 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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