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SrEuCu10

Alexandria ALEX

Alex-ID: agm078523178 · Space group: Pmmm (#47)

Basic Information

Formula
SrEuCu10
Alex-ID
agm078523178
Elements
3
Sites
12
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
191.31
ų
Cell a
4.0257
Å
Cell b
5.2512
Å
Cell c
9.0500
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrEuCu10
Sr
1.00 · 8.3%
Eu
1.00 · 8.3%
Cu
10.00 · 83.3%

Energy & Stability

Energy above hull
0.0054
eV/atom
Formation energy
-0.0386
eV/atom
Corrected total energy
-54.0266
eV
Raw total energy
-54.0266
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0040
eV
DOS at Fermi level
14.1197
Total magnetisation
7.2473
μB

Additional Information

Prototype ID

ABC10_0_spg47

Decomposition

EuCu5 Cu SrCu

Computed at

2025-01-09 04:44:59

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: agm078523178).

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 agm078523178
data_agm078523178
_cell_length_a     4.02572
_cell_length_b     5.25115
_cell_length_c     9.05003
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       191.31488
_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 0.00000 0.50000 1.00000
  Eu1 Eu 0.50000 0.50000 0.00000 1.00000
  Cu1 Cu 0.00000 0.74780 0.24613 1.00000
  Cu2 Cu 0.00000 0.25220 0.75387 1.00000
  Cu3 Cu 0.00000 0.25220 0.24613 1.00000
  Cu4 Cu 0.00000 0.74780 0.75387 1.00000
  Cu5 Cu 0.50000 0.50000 0.33047 1.00000
  Cu6 Cu 0.50000 0.50000 0.66953 1.00000
  Cu7 Cu 0.50000 0.00000 0.16344 1.00000
  Cu8 Cu 0.50000 0.00000 0.83656 1.00000
  Cu9 Cu 0.00000 0.50000 0.50000 1.00000
  Cu10 Cu 0.00000 0.00000 0.00000 1.00000
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