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YTm(PtPb)2

Alexandria ALEX

Alex-ID: agm012817079 · Space group: R3m (#160)

Alexandria Database API

Basic Information

Formula
YTm(PtPb)2
Alex-ID
agm012817079
Elements
4
Sites
6
Space group
R3m (#160)
Crystal system
trigonal
Volume
151.96
ų
Cell a
8.2438
Å
Cell b
8.2438
Å
Cell c
8.2438
Å
α angle
33.49
°
β angle
33.49
°
γ angle
33.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YTm(PtPb)2
Y
1.00 · 16.7%
Tm
1.00 · 16.7%
Pt
2.00 · 33.3%
Pb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0381
eV/atom
Formation energy
-0.8282
eV/atom
Corrected total energy
-35.4964
eV
Raw total energy
-35.4964
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.3449
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D2_471_spg160

Decomposition

Y2Pt2Pb Pb TmPt

Computed at

2025-04-15 03:42:00

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: agm012817079).

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 agm012817079
data_agm012817079
_cell_length_a     8.24382
_cell_length_b     8.24382
_cell_length_c     8.24382
_cell_angle_alpha  33.49373
_cell_angle_beta   33.49373
_cell_angle_gamma  33.49373
_cell_volume       151.95645
_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
  Y1 Y 0.37511 0.37511 0.37511 1.00000
  Tm1 Tm 0.87495 0.87495 0.87495 1.00000
  Pt1 Pt 0.99881 0.99881 0.99881 1.00000
  Pt2 Pt 0.50133 0.50133 0.50133 1.00000
  Pb1 Pb 0.12533 0.12533 0.12533 1.00000
  Pb2 Pb 0.62459 0.62459 0.62459 1.00000
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