La19(In2Co3)2

Alexandria ALEX

Alex-ID: agm009019494 · Space group: I-43m (#217)

Alexandria Database API

Basic Information

Formula

La19(In2Co3)2

Alex-ID

agm009019494

Elements

Sites

Space group

I-43m (#217)

Crystal system

cubic

Volume

880.43

Å³

Cell a

10.4578

Cell b

10.4578

Cell c

10.4578

α angle

109.47

β angle

109.47

γ angle

109.47

Composition

Element Composition (atomic fraction)

Composition Info

Formula

La19(In2Co3)2

19.00 · 65.5%

4.00 · 13.8%

6.00 · 20.7%

Energy & Stability

Energy above hull

0.0435

eV/atom

Formation energy

-0.2158

eV/atom

Corrected total energy

-153.6996

Raw total energy

-153.6996

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

27.6795

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A4B6C19_1_spg197

Decomposition

La5Co2 La4Co La3InCo

Computed at

2025-01-04 04:13:38

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: agm009019494).

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 agm009019494
data_agm009019494
_cell_length_a     10.45777
_cell_length_b     10.45777
_cell_length_c     10.45777
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       880.43086
_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 0.00000 0.63076 0.63076 1.00000
  La2 La 0.00000 0.36924 0.36924 1.00000
  La3 La 0.36924 0.00000 0.36924 1.00000
  La4 La 0.63076 1.00000 0.63076 1.00000
  La5 La 0.63076 0.63076 0.00000 1.00000
  La6 La 0.36924 0.36924 0.00000 1.00000
  La7 La 0.00000 0.00000 0.00000 1.00000
  La8 La 0.24175 0.58793 0.24180 1.00000
  La9 La 0.34613 0.99995 0.75820 1.00000
  La10 La 0.65387 0.41207 0.65382 1.00000
  La11 La 0.75820 0.34613 0.99995 1.00000
  La12 La 0.75825 0.00005 0.34618 1.00000
  La13 La 0.24180 0.24175 0.58793 1.00000
  La14 La 0.34618 0.75825 0.00005 1.00000
  La15 La 0.65382 0.65387 0.41207 1.00000
  La16 La 0.00005 0.34618 0.75825 1.00000
  La17 La 0.99995 0.75820 0.34613 1.00000
  La18 La 0.58793 0.24180 0.24175 1.00000
  La19 La 0.41207 0.65382 0.65387 1.00000
  In1 In 0.00000 0.67966 0.00000 1.00000
  In2 In 0.67966 0.00000 0.00000 1.00000
  In3 In 0.32034 0.32034 0.32034 1.00000
  In4 In 0.00000 0.00000 0.67966 1.00000
  Co1 Co 0.50000 0.74990 0.24990 1.00000
  Co2 Co 0.50000 0.25010 0.75010 1.00000
  Co3 Co 0.75010 0.50000 0.25010 1.00000
  Co4 Co 0.24990 0.50000 0.74990 1.00000
  Co5 Co 0.74990 0.24990 0.50000 1.00000
  Co6 Co 0.25010 0.75010 0.50000 1.00000

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