Navigation

HEAS Data Platform · Materials Science Database

Eu2ZnSi3

Alexandria ALEX

Alex-ID: agm090145779 · Space group: Pmm2 (#25)

Basic Information

Formula
Eu2ZnSi3
Alex-ID
agm090145779
Elements
3
Sites
6
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
128.89
ų
Cell a
4.1462
Å
Cell b
4.3865
Å
Cell c
7.0869
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2ZnSi3
Eu
2.00 · 33.3%
Zn
1.00 · 16.7%
Si
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5226
eV/atom
Corrected total energy
-41.2316
eV
Raw total energy
-41.2316
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0076
eV
DOS at Fermi level
13.8827
Total magnetisation
14.2741
μB

Additional Information

Prototype ID

AB2C3_528_spg1

Decomposition

Eu2ZnSi3

Computed at

2025-04-14 00:16:19

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: agm090145779).

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 agm090145779
data_agm090145779
_cell_length_a     4.14620
_cell_length_b     4.38646
_cell_length_c     7.08687
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       128.89014
_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 0.00000 0.00000 0.53424 1.00000
  Eu2 Eu 0.50000 0.00000 0.01593 1.00000
  Zn1 Zn 0.50000 0.50000 0.35374 1.00000
  Si1 Si 0.50000 0.50000 0.69247 1.00000
  Si2 Si 0.00000 0.50000 0.86162 1.00000
  Si3 Si 0.00000 0.50000 0.19280 1.00000
Get direct link