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Sr4La4Co4O15

Alexandria ALEX

Alex-ID: agm011004479 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
Sr4La4Co4O15
Alex-ID
agm011004479
Elements
4
Sites
27
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
368.88
ų
Cell a
3.8253
Å
Cell b
7.6095
Å
Cell c
12.6732
Å
α angle
89.51
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4La4Co4O15
Sr
4.00 · 14.8%
La
4.00 · 14.8%
Co
4.00 · 14.8%
O
15.00 · 55.6%

Energy & Stability

Energy above hull
0.0600
eV/atom
Formation energy
-2.7541
eV/atom
Corrected total energy
-203.6957
eV
Raw total energy
-185.6654
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.2388
eV
DOS at Fermi level
1.6040
Total magnetisation
1.2738
μB

Additional Information

Prototype ID

A4B4C4D15_0_spg10

Decomposition

SrCoO2 Sr3(CoO3)2 La2O3 CoO

Computed at

2024-06-24 11:31:15.428303

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: agm011004479).

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 agm011004479
data_agm011004479
_cell_length_a     3.82527
_cell_length_b     7.60952
_cell_length_c     12.67318
_cell_angle_alpha  89.51208
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       368.88382
_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
  Sr1 Sr 0.50000 0.49764 0.14974 1.00000
  Sr2 Sr 0.50000 0.50236 0.85026 1.00000
  Sr3 Sr 0.00000 0.74736 0.64183 1.00000
  Sr4 Sr 0.00000 0.25264 0.35817 1.00000
  La1 La 0.00000 0.25124 0.63616 1.00000
  La2 La 0.00000 0.74876 0.36384 1.00000
  La3 La 0.50000 0.99604 0.13708 1.00000
  La4 La 0.50000 0.00396 0.86292 1.00000
  Co1 Co 0.50000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.25493 0.99953 1.00000
  Co3 Co 0.50000 0.50000 0.50000 1.00000
  Co4 Co 0.00000 0.74507 0.00047 1.00000
  O1 O 0.50000 0.27852 0.99734 1.00000
  O2 O 0.00000 0.25247 0.83685 1.00000
  O3 O 0.50000 0.51400 0.34166 1.00000
  O4 O 0.00000 0.50000 0.50000 1.00000
  O5 O 0.50000 0.48600 0.65834 1.00000
  O6 O 0.50000 0.72148 0.00266 1.00000
  O7 O 0.00000 0.74753 0.16315 1.00000
  O8 O 0.50000 0.74799 0.50065 1.00000
  O9 O 0.00000 0.74706 0.84348 1.00000
  O10 O 0.00000 0.00000 0.00000 1.00000
  O11 O 0.50000 0.98059 0.31601 1.00000
  O12 O 0.00000 0.00000 0.50000 1.00000
  O13 O 0.50000 0.01941 0.68399 1.00000
  O14 O 0.00000 0.25294 0.15652 1.00000
  O15 O 0.50000 0.25201 0.49935 1.00000
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