Na4Sr19Co6

Alexandria ALEX

Alex-ID: agm009077326 · Space group: I23 (#197)

Alexandria Database API

Basic Information

Formula

Na4Sr19Co6

Alex-ID

agm009077326

Elements

Sites

Space group

I23 (#197)

Crystal system

cubic

Volume

1,204.67

Å³

Cell a

11.6099

Cell b

11.6099

Cell c

11.6099

α angle

109.47

β angle

109.47

γ angle

109.47

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Na4Sr19Co6

4.00 · 13.8%

19.00 · 65.5%

6.00 · 20.7%

Energy & Stability

Energy above hull

0.2929

eV/atom

Formation energy

0.2929

eV/atom

Corrected total energy

-71.6241

Raw total energy

-71.6241

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

42.3274

Total magnetisation

0.8212

μB

Additional Information

Prototype ID

A4B6C19_8_spg197

Decomposition

Na Sr Co

Computed at

2024-06-24 11:29:12.645432

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: agm009077326).

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 agm009077326
data_agm009077326
_cell_length_a     11.60995
_cell_length_b     11.60995
_cell_length_c     11.60995
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       1204.67161
_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
  Na1 Na 0.67133 0.00000 0.00000 1.00000
  Na2 Na 0.00000 0.00000 0.67133 1.00000
  Na3 Na 0.32867 0.32867 0.32867 1.00000
  Na4 Na 0.00000 0.67133 0.00000 1.00000
  Sr1 Sr 0.63661 0.63661 0.00000 1.00000
  Sr2 Sr 0.36339 0.36339 0.00000 1.00000
  Sr3 Sr 0.00000 0.36339 0.36339 1.00000
  Sr4 Sr 0.00000 0.63661 0.63661 1.00000
  Sr5 Sr 0.63661 0.00000 0.63661 1.00000
  Sr6 Sr 0.36339 0.00000 0.36339 1.00000
  Sr7 Sr 0.00000 0.00000 0.00000 1.00000
  Sr8 Sr 0.60504 0.27136 0.24401 1.00000
  Sr9 Sr 0.97264 0.72864 0.33368 1.00000
  Sr10 Sr 0.39496 0.63896 0.66632 1.00000
  Sr11 Sr 0.33368 0.97264 0.72864 1.00000
  Sr12 Sr 0.02736 0.36104 0.75599 1.00000
  Sr13 Sr 0.24401 0.60504 0.27136 1.00000
  Sr14 Sr 0.75599 0.02736 0.36104 1.00000
  Sr15 Sr 0.66632 0.39496 0.63896 1.00000
  Sr16 Sr 0.36104 0.75599 0.02736 1.00000
  Sr17 Sr 0.72864 0.33368 0.97264 1.00000
  Sr18 Sr 0.27136 0.24401 0.60504 1.00000
  Sr19 Sr 0.63896 0.66632 0.39496 1.00000
  Co1 Co 0.82260 0.32260 0.50000 1.00000
  Co2 Co 0.17740 0.67740 0.50000 1.00000
  Co3 Co 0.50000 0.17740 0.67740 1.00000
  Co4 Co 0.50000 0.82260 0.32260 1.00000
  Co5 Co 0.32260 0.50000 0.82260 1.00000
  Co6 Co 0.67740 0.50000 0.17740 1.00000

Get direct link