Navigation

HEAS Data Platform · Materials Science Database

Eu3Mg2Tl

Alexandria ALEX

Alex-ID: agm090458873 · Space group: P-3m1 (#164)

Basic Information

Formula
Eu3Mg2Tl
Alex-ID
agm090458873
Elements
3
Sites
6
Space group
P-3m1 (#164)
Crystal system
trigonal
Volume
191.50
ų
Cell a
5.6540
Å
Cell b
5.6540
Å
Cell c
6.9172
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3Mg2Tl
Eu
3.00 · 50.0%
Mg
2.00 · 33.3%
Tl
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2171
eV/atom
Corrected total energy
-37.6815
eV
Raw total energy
-37.6815
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.1860
Total magnetisation
-7.0437
μB

Additional Information

Prototype ID

AB2C3_76_spg164

Decomposition

Eu3Mg2Tl

Computed at

2025-03-16 07:42:59

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: agm090458873).

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 agm090458873
data_agm090458873
_cell_length_a     5.65398
_cell_length_b     5.65398
_cell_length_c     6.91724
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       191.50141
_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 0.33333 0.66667 0.34387 1.00000
  Eu2 Eu 0.66667 0.33333 0.65613 1.00000
  Eu3 Eu 0.00000 0.00000 0.00000 1.00000
  Mg1 Mg 0.33333 0.66667 0.84523 1.00000
  Mg2 Mg 0.66667 0.33333 0.15477 1.00000
  Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Get direct link