Navigation

HEAS Data Platform · Materials Science Database

Eu2Zn2In

Alexandria ALEX

Alex-ID: agm097051830 · Space group: Cmmm (#65)

Basic Information

Formula
Eu2Zn2In
Alex-ID
agm097051830
Elements
3
Sites
5
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
129.22
ų
Cell a
7.7365
Å
Cell b
7.7365
Å
Cell c
3.8061
Å
α angle
90.00
°
β angle
90.00
°
γ angle
145.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2Zn2In
Eu
2.00 · 40.0%
Zn
2.00 · 40.0%
In
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0197
eV/atom
Formation energy
-0.3454
eV/atom
Corrected total energy
-27.6020
eV
Raw total energy
-27.6019
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0087
eV
DOS at Fermi level
12.0857
Total magnetisation
14.2157
μB

Additional Information

Prototype ID

AB2C2_417_spg65

Decomposition

EuZn2 EuIn

Computed at

2025-04-14 13:53:48

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: agm097051830).

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 agm097051830
data_agm097051830
_cell_length_a     7.73653
_cell_length_b     7.73653
_cell_length_c     3.80608
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  145.44347
_cell_volume       129.21736
_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 0.87805 0.12195 0.00000 1.00000
  Eu2 Eu 0.12195 0.87805 0.00000 1.00000
  Zn1 Zn 0.29642 0.70358 0.50000 1.00000
  Zn2 Zn 0.70358 0.29642 0.50000 1.00000
  In1 In 0.50000 0.50000 0.50000 1.00000
Get direct link