Y11(Co2Sn3)2

Alexandria ALEX

Alex-ID: agm008575992 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula

Y11(Co2Sn3)2

Alex-ID

agm008575992

Elements

Sites

Space group

C2/m (#12)

Crystal system

monoclinic

Volume

534.34

Å³

Cell a

9.4023

Cell b

9.4023

Cell c

14.0496

α angle

74.28

β angle

105.72

γ angle

153.39

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Y11(Co2Sn3)2

11.00 · 52.4%

4.00 · 19.0%

6.00 · 28.6%

Energy & Stability

Energy above hull

0.0385

eV/atom

Formation energy

-0.5816

eV/atom

Corrected total energy

-135.8195

Raw total energy

-135.8195

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0046

DOS at Fermi level

16.1304

Total magnetisation

3.0205

μB

Additional Information

Prototype ID

A4B6C11_1_spg12

Decomposition

Y2Co17 YCo3 Y5Sn3

Computed at

2025-03-02 09:45:22

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: agm008575992).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008575992
data_agm008575992
_cell_length_a     9.40226
_cell_length_b     9.40226
_cell_length_c     14.04963
_cell_angle_alpha  74.27601
_cell_angle_beta   105.72399
_cell_angle_gamma  153.38883
_cell_volume       534.33528
_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
  Y1 Y 0.09193 0.90807 0.28581 1.00000
  Y2 Y 0.14312 0.85688 0.85329 1.00000
  Y3 Y 0.78923 0.21077 0.39927 1.00000
  Y4 Y 0.45109 0.54891 0.37668 1.00000
  Y5 Y 0.65584 0.34416 0.08454 1.00000
  Y6 Y 0.54891 0.45109 0.62332 1.00000
  Y7 Y 0.00000 0.00000 0.00000 1.00000
  Y8 Y 0.85688 0.14312 0.14671 1.00000
  Y9 Y 0.21077 0.78923 0.60073 1.00000
  Y10 Y 0.34416 0.65584 0.91546 1.00000
  Y11 Y 0.90807 0.09193 0.71419 1.00000
  Co1 Co 0.24690 0.75310 0.03630 1.00000
  Co2 Co 0.05328 0.94672 0.47762 1.00000
  Co3 Co 0.94672 0.05328 0.52238 1.00000
  Co4 Co 0.75310 0.24690 0.96370 1.00000
  Sn1 Sn 0.36684 0.63316 0.55100 1.00000
  Sn2 Sn 0.74049 0.25951 0.76699 1.00000
  Sn3 Sn 0.25951 0.74049 0.23301 1.00000
  Sn4 Sn 0.63316 0.36684 0.44900 1.00000
  Sn5 Sn 0.48663 0.51337 0.15065 1.00000
  Sn6 Sn 0.51337 0.48663 0.84935 1.00000

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