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Eu2FePtO6

Alexandria ALEX

Alex-ID: agm078009136 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
Eu2FePtO6
Alex-ID
agm078009136
Elements
4
Sites
10
Space group
R-3 (#148)
Crystal system
trigonal
Volume
123.61
ų
Cell a
5.5118
Å
Cell b
5.5118
Å
Cell c
5.5118
Å
α angle
61.97
°
β angle
61.97
°
γ angle
61.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2FePtO6
Eu
2.00 · 20.0%
Fe
1.00 · 10.0%
Pt
1.00 · 10.0%
O
6.00 · 60.0%

Energy & Stability

Energy above hull
0.0173
eV/atom
Formation energy
-2.3014
eV/atom
Corrected total energy
-87.8632
eV
Raw total energy
-80.9164
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.2236
Total magnetisation
18.0008
μB

Additional Information

Prototype ID

ABC2D6_1_spg225

Decomposition

Eu2O3 EuFeO3 Eu2Pt2O7 Pt

Computed at

2025-01-09 22:19:27

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: agm078009136).

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 agm078009136
data_agm078009136
_cell_length_a     5.51182
_cell_length_b     5.51182
_cell_length_c     5.51182
_cell_angle_alpha  61.96564
_cell_angle_beta   61.96564
_cell_angle_gamma  61.96564
_cell_volume       123.61202
_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 0.24913 0.24913 0.24913 1.00000
  Eu2 Eu 0.75087 0.75087 0.75087 1.00000
  Fe1 Fe 0.50000 0.50000 0.50000 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
  O1 O 0.66784 0.82925 0.25220 1.00000
  O2 O 0.33216 0.17075 0.74780 1.00000
  O3 O 0.82925 0.25220 0.66784 1.00000
  O4 O 0.17075 0.74780 0.33216 1.00000
  O5 O 0.25220 0.66784 0.82925 1.00000
  O6 O 0.74780 0.33216 0.17075 1.00000
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