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Gd5Bi2Pt

Alexandria ALEX

Alex-ID: agm079036795 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Gd5Bi2Pt
Alex-ID
agm079036795
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
470.17
ų
Cell a
4.6289
Å
Cell b
8.1253
Å
Cell c
12.5008
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Gd5Bi2Pt
Gd
10.00 · 62.5%
Bi
4.00 · 25.0%
Pt
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8173
eV/atom
Corrected total energy
-181.5861
eV
Raw total energy
-181.5861
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0093
eV
DOS at Fermi level
16.8671
Total magnetisation
-14.8427
μB

Additional Information

Prototype ID

AB2C5_20_spg55

Decomposition

Gd5Bi2Pt

Computed at

2025-01-09 14:47:27

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: agm079036795).

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 agm079036795
data_agm079036795
_cell_length_a     4.62891
_cell_length_b     8.12529
_cell_length_c     12.50075
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       470.16856
_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
  Gd1 Gd 0.00000 0.14191 0.29681 1.00000
  Gd2 Gd 0.00000 0.85809 0.70319 1.00000
  Gd3 Gd 0.00000 0.64191 0.20319 1.00000
  Gd4 Gd 0.00000 0.35809 0.79681 1.00000
  Gd5 Gd 0.50000 0.18769 0.56387 1.00000
  Gd6 Gd 0.50000 0.81231 0.43613 1.00000
  Gd7 Gd 0.50000 0.68769 0.93613 1.00000
  Gd8 Gd 0.50000 0.31231 0.06387 1.00000
  Gd9 Gd 0.00000 0.00000 0.00000 1.00000
  Gd10 Gd 0.00000 0.50000 0.50000 1.00000
  Bi1 Bi 0.50000 0.07391 0.82744 1.00000
  Bi2 Bi 0.50000 0.92609 0.17256 1.00000
  Bi3 Bi 0.50000 0.57391 0.67256 1.00000
  Bi4 Bi 0.50000 0.42608 0.32744 1.00000
  Pt1 Pt 0.00000 0.00000 0.50000 1.00000
  Pt2 Pt 0.00000 0.50000 0.00000 1.00000
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