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SrLiEu(CoO3)2

Alexandria ALEX

Alex-ID: agm005258266 · Space group: Cm (#8)

Alexandria Database API

Basic Information

Formula
SrLiEu(CoO3)2
Alex-ID
agm005258266
Elements
5
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
140.32
ų
Cell a
10.2482
Å
Cell b
10.2482
Å
Cell c
3.8402
Å
α angle
78.46
°
β angle
78.46
°
γ angle
20.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLiEu(CoO3)2
Sr
1.00 · 9.1%
Li
1.00 · 9.1%
Eu
1.00 · 9.1%
Co
2.00 · 18.2%
O
6.00 · 54.5%

Energy & Stability

Energy above hull
0.1090
eV/atom
Formation energy
-2.1459
eV/atom
Corrected total energy
-81.4800
eV
Raw total energy
-73.5182
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0338
eV
DOS at Fermi level
12.3214
Total magnetisation
1.2409
μB

Additional Information

Prototype ID

ABCD2E6_46_spg8

Decomposition

Sr2Co2O5 LiCoO2 Eu2O3

Computed at

2023-04-21 11:40:54.755544

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: agm005258266).

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 agm005258266
data_agm005258266
_cell_length_a     10.24822
_cell_length_b     10.24822
_cell_length_c     3.84016
_cell_angle_alpha  78.45856
_cell_angle_beta   78.45856
_cell_angle_gamma  20.81472
_cell_volume       140.32099
_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 0.26494 0.26494 0.89388 1.00000
  Li1 Li 0.88283 0.88283 0.17565 1.00000
  Eu1 Eu 0.07560 0.07560 0.08884 1.00000
  Co1 Co 0.67703 0.67703 0.49529 1.00000
  Co2 Co 0.45894 0.45894 0.63143 1.00000
  O1 O 0.66142 0.66142 0.00905 1.00000
  O2 O 0.38106 0.38106 0.94983 1.00000
  O3 O 0.54905 0.54905 0.67551 1.00000
  O4 O 0.77060 0.77060 0.39267 1.00000
  O5 O 0.15837 0.15837 0.49975 1.00000
  O6 O 0.96155 0.96155 0.40238 1.00000
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