Navigation

HEAS Data Platform · Materials Science Database

Eu2(AsPt)3

Alexandria ALEX

Alex-ID: agm005491239 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Eu2(AsPt)3
Alex-ID
agm005491239
Elements
3
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
1,026.93
ų
Cell a
7.1823
Å
Cell b
7.1823
Å
Cell c
19.9073
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2(AsPt)3
Eu
2.00 · 25.0%
As
3.00 · 37.5%
Pt
3.00 · 37.5%

Energy & Stability

Energy above hull
2.0013
eV/atom
Formation energy
1.0768
eV/atom
Corrected total energy
-44.1468
eV
Raw total energy
-44.1468
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.6887
Total magnetisation
-16.0424
μB

Additional Information

Prototype ID

A2B3C3_67_spg123

Decomposition

EuAsPt EuPt3 As2Pt

Computed at

2023-03-18 09:07:05.745690

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: agm005491239).

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 agm005491239
data_agm005491239
_cell_length_a     7.18231
_cell_length_b     7.18231
_cell_length_c     19.90725
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1026.92572
_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 0.50000 0.50000 0.75513 1.00000
  Eu2 Eu 0.50000 0.50000 0.24487 1.00000
  As1 As 0.50000 0.50000 0.00000 1.00000
  As2 As 0.50000 0.50000 0.38734 1.00000
  As3 As 0.50000 0.50000 0.61266 1.00000
  Pt1 Pt 0.50000 0.50000 0.11709 1.00000
  Pt2 Pt 0.50000 0.50000 0.88291 1.00000
  Pt3 Pt 0.50000 0.50000 0.50000 1.00000
Get direct link