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EuInSn2

Alexandria ALEX

Alex-ID: agm002281997 · Space group: Cmcm (#63)

Basic Information

Formula
EuInSn2
Alex-ID
agm002281997
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
234.33
ų
Cell a
4.5210
Å
Cell b
6.7084
Å
Cell c
8.2054
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuInSn2
Eu
2.00 · 25.0%
Sn
4.00 · 50.0%
In
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1055
eV/atom
Formation energy
-0.3417
eV/atom
Corrected total energy
-44.8329
eV
Raw total energy
-44.8329
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0055
eV
DOS at Fermi level
20.0616
Total magnetisation
14.1156
μB

Additional Information

Prototype ID

ABC2_30_spg63

Decomposition

EuIn2Sn EuSn3

Computed at

2018-12-31 17:29:12

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: agm002281997).

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 agm002281997
data_agm002281997
_cell_length_a     4.52100
_cell_length_b     6.70838
_cell_length_c     8.20537
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.67619
_cell_volume       234.32697
_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 0.06496 0.13065 0.75000 1.00000
  Eu2 Eu 0.93504 0.86935 0.25000 1.00000
  Sn1 Sn 0.38636 0.77560 0.93985 1.00000
  Sn2 Sn 0.61364 0.22440 0.06015 1.00000
  Sn3 Sn 0.61364 0.22440 0.43985 1.00000
  Sn4 Sn 0.38636 0.77560 0.56015 1.00000
  In1 In 0.77032 0.54306 0.75000 1.00000
  In2 In 0.22968 0.45694 0.25000 1.00000
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