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EuBPt2

Alexandria ALEX

Alex-ID: agm002138258 · Space group: P6_422 (#181)

Basic Information

Formula
EuBPt2
Alex-ID
agm002138258
Elements
3
Sites
12
Space group
P6_422 (#181)
Crystal system
hexagonal
Volume
207.22
ų
Cell a
5.5767
Å
Cell b
5.5773
Å
Cell c
7.6928
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuBPt2
Eu
3.00 · 25.0%
B
3.00 · 25.0%
Pt
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0033
eV/atom
Formation energy
-0.7821
eV/atom
Corrected total energy
-96.7690
eV
Raw total energy
-96.7690
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.0507
Total magnetisation
6.6725
μB

Additional Information

Prototype ID

ABC2_436_spg180

Decomposition

Eu3B2Pt7 EuPt2 EuB6

Computed at

2018-06-24 17:09:39

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: agm002138258).

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 agm002138258
data_agm002138258
_cell_length_a     5.57671
_cell_length_b     5.57734
_cell_length_c     7.69278
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.99623
_cell_volume       207.22191
_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 0.00000 0.66667 1.00000
  Eu2 Eu 0.00000 0.50000 0.00016 1.00000
  Eu3 Eu 0.50000 0.50000 0.33317 1.00000
  B1 B 0.00000 0.50000 0.49999 1.00000
  B2 B 0.50000 0.00000 0.16667 1.00000
  B3 B 0.50000 0.50000 0.83334 1.00000
  Pt1 Pt 0.70338 0.85173 0.00000 1.00000
  Pt2 Pt 0.85171 0.70342 0.66667 1.00000
  Pt3 Pt 0.14835 0.85173 0.33333 1.00000
  Pt4 Pt 0.14829 0.29658 0.66667 1.00000
  Pt5 Pt 0.85165 0.14827 0.33333 1.00000
  Pt6 Pt 0.29662 0.14827 0.00000 1.00000
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