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Sr3Eu7Co2

Alexandria ALEX

Alex-ID: agm101543166 · Space group: R-3m (#166)

Basic Information

Formula
Sr3Eu7Co2
Alex-ID
agm101543166
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
472.22
ų
Cell a
7.4036
Å
Cell b
7.4036
Å
Cell c
10.8173
Å
α angle
70.02
°
β angle
109.98
°
γ angle
119.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Eu7Co2
Sr
3.00 · 25.0%
Eu
7.00 · 58.3%
Co
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0875
eV/atom
Formation energy
0.0875
eV/atom
Corrected total energy
-90.1877
eV
Raw total energy
-90.1877
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
28.4550
Total magnetisation
50.6108
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

Sr Eu Co

Computed at

2025-05-15 23:35:24

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: agm101543166).

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 agm101543166
data_agm101543166
_cell_length_a     7.40357
_cell_length_b     7.40357
_cell_length_c     10.81734
_cell_angle_alpha  70.01893
_cell_angle_beta   109.98107
_cell_angle_gamma  119.90957
_cell_volume       472.21952
_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 0.00000 0.00000 0.00000 1.00000
  Sr2 Sr 0.85521 0.14479 0.56561 1.00000
  Sr3 Sr 0.14479 0.85521 0.43439 1.00000
  Eu1 Eu 0.50000 0.50000 0.50000 1.00000
  Eu2 Eu 0.43763 0.06012 0.81499 1.00000
  Eu3 Eu 0.93988 0.56237 0.81499 1.00000
  Eu4 Eu 0.43772 0.56228 0.81537 1.00000
  Eu5 Eu 0.56237 0.93988 0.18501 1.00000
  Eu6 Eu 0.56228 0.43772 0.18463 1.00000
  Eu7 Eu 0.06012 0.43763 0.18501 1.00000
  Co1 Co 0.66725 0.33275 0.00027 1.00000
  Co2 Co 0.33275 0.66725 0.99973 1.00000
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