Yb5(Co2Si7)2

Alexandria ALEX

Alex-ID: agm003250554 · Space group: P2_1/c (#14)

Alexandria Database API

Basic Information

Formula

Yb5(Co2Si7)2

Alex-ID

agm003250554

Elements

Sites

Space group

P2_1/c (#14)

Crystal system

monoclinic

Volume

747.00

Å³

Cell a

7.8296

Cell b

7.7139

Cell c

12.5065

α angle

81.47

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Yb5(Co2Si7)2

10.00 · 21.7%

8.00 · 17.4%

28.00 · 60.9%

Energy & Stability

Energy above hull

0.0061

eV/atom

Formation energy

-0.5350

eV/atom

Corrected total energy

-248.7051

Raw total energy

-248.7051

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0037

DOS at Fermi level

126.9214

Total magnetisation

1.3228

μB

Additional Information

Prototype ID

A4B5C14_0_spg14

Decomposition

Yb4Si7 CoSi2 CoSi

Computed at

2021-12-25 11:19:04.393952

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: agm003250554).

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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm003250554
data_agm003250554
_cell_length_a     7.82964
_cell_length_b     7.71387
_cell_length_c     12.50653
_cell_angle_alpha  81.46810
_cell_angle_beta   90.00006
_cell_angle_gamma  89.99985
_cell_volume       746.99526
_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 0.00000 0.00000 0.50000 1.00000
  Yb2 Yb 0.50000 0.50000 0.50000 1.00000
  Yb3 Yb 0.25393 0.15742 0.86121 1.00000
  Yb4 Yb 0.75393 0.34259 0.13880 1.00000
  Yb5 Yb 0.74607 0.84258 0.13879 1.00000
  Yb6 Yb 0.24607 0.65741 0.86120 1.00000
  Yb7 Yb 0.24853 0.83724 0.13833 1.00000
  Yb8 Yb 0.74853 0.66275 0.86167 1.00000
  Yb9 Yb 0.75147 0.16276 0.86167 1.00000
  Yb10 Yb 0.25147 0.33725 0.13833 1.00000
  Co1 Co 0.37606 0.87287 0.49950 1.00000
  Co2 Co 0.87607 0.62713 0.50050 1.00000
  Co3 Co 0.62394 0.12713 0.50050 1.00000
  Co4 Co 0.12393 0.37287 0.49950 1.00000
  Co5 Co 0.99986 0.94106 0.74719 1.00000
  Co6 Co 0.49986 0.55894 0.25282 1.00000
  Co7 Co 0.00014 0.05894 0.25281 1.00000
  Co8 Co 0.50014 0.44106 0.74718 1.00000
  Si1 Si 0.66790 0.83388 0.49964 1.00000
  Si2 Si 0.16792 0.66610 0.50037 1.00000
  Si3 Si 0.33210 0.16612 0.50036 1.00000
  Si4 Si 0.83208 0.33390 0.49963 1.00000
  Si5 Si 0.99306 0.76779 0.32613 1.00000
  Si6 Si 0.49306 0.73220 0.67387 1.00000
  Si7 Si 0.00694 0.23221 0.67387 1.00000
  Si8 Si 0.50694 0.26780 0.32613 1.00000
  Si9 Si 0.99303 0.68436 0.67377 1.00000
  Si10 Si 0.49303 0.81563 0.32623 1.00000
  Si11 Si 0.00697 0.31564 0.32623 1.00000
  Si12 Si 0.50697 0.18437 0.67377 1.00000
  Si13 Si 0.49921 0.88354 0.94955 1.00000
  Si14 Si 0.99922 0.61647 0.05045 1.00000
  Si15 Si 0.50079 0.11646 0.05045 1.00000
  Si16 Si 0.00078 0.38353 0.94955 1.00000
  Si17 Si 0.27168 0.95056 0.67307 1.00000
  Si18 Si 0.77167 0.54944 0.32693 1.00000
  Si19 Si 0.72832 0.04944 0.32693 1.00000
  Si20 Si 0.22833 0.45056 0.67307 1.00000
  Si21 Si 0.99985 0.89347 0.93655 1.00000
  Si22 Si 0.49985 0.60654 0.06345 1.00000
  Si23 Si 0.00015 0.10653 0.06345 1.00000
  Si24 Si 0.50015 0.39346 0.93655 1.00000
  Si25 Si 0.72786 0.96457 0.67332 1.00000
  Si26 Si 0.22787 0.53543 0.32669 1.00000
  Si27 Si 0.27214 0.03543 0.32668 1.00000
  Si28 Si 0.77213 0.46457 0.67331 1.00000

Get direct link