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EuCuSn

Alexandria ALEX

Alex-ID: agm003200217 · Space group: C2/m (#12)

Basic Information

Formula
EuCuSn
Alex-ID
agm003200217
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
143.30
ų
Cell a
5.9548
Å
Cell b
5.9548
Å
Cell c
7.6343
Å
α angle
52.23
°
β angle
52.23
°
γ angle
44.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuCuSn
Eu
2.00 · 33.3%
Cu
2.00 · 33.3%
Sn
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0774
eV/atom
Formation energy
-0.3877
eV/atom
Corrected total energy
-39.2005
eV
Raw total energy
-39.2005
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0034
eV
DOS at Fermi level
17.5978
Total magnetisation
13.9534
μB

Additional Information

Prototype ID

ABC_33_spg12

Decomposition

Cu EuSn

Computed at

2021-12-05 13:21:50.219477

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: agm003200217).

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 agm003200217
data_agm003200217
_cell_length_a     5.95480
_cell_length_b     5.95480
_cell_length_c     7.63433
_cell_angle_alpha  52.23111
_cell_angle_beta   52.23111
_cell_angle_gamma  44.99451
_cell_volume       143.30000
_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
  Eu1 Eu 0.55461 0.55461 0.68503 1.00000
  Eu2 Eu 0.44539 0.44539 0.31497 1.00000
  Cu1 Cu 0.15183 0.15183 0.29720 1.00000
  Cu2 Cu 0.84817 0.84817 0.70280 1.00000
  Sn1 Sn 0.82748 0.82748 0.10116 1.00000
  Sn2 Sn 0.17252 0.17252 0.89884 1.00000
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