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SrTbPt

Alexandria ALEX

Alex-ID: agm068913751 · Space group: Pmmn (#59)

Alexandria Database API

Basic Information

Formula
SrTbPt
Alex-ID
agm068913751
Elements
3
Sites
6
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
195.81
ų
Cell a
3.9032
Å
Cell b
4.1809
Å
Cell c
11.9985
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrTbPt
Sr
2.00 · 33.3%
Tb
2.00 · 33.3%
Pt
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0454
eV/atom
Formation energy
-0.7955
eV/atom
Corrected total energy
-29.5924
eV
Raw total energy
-29.5924
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8617
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_572_spg129

Decomposition

Sr6Pt Tb5Pt3 TbPt

Computed at

2025-04-14 13:09:53

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: agm068913751).

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 agm068913751
data_agm068913751
_cell_length_a     3.90321
_cell_length_b     4.18095
_cell_length_c     11.99853
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       195.80531
_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
  Sr1 Sr 0.50000 0.00000 0.13980 1.00000
  Sr2 Sr 0.00000 0.50000 0.86020 1.00000
  Tb1 Tb 0.00000 0.00000 0.59525 1.00000
  Tb2 Tb 0.50000 0.50000 0.40475 1.00000
  Pt1 Pt 0.00000 0.00000 0.35423 1.00000
  Pt2 Pt 0.50000 0.50000 0.64577 1.00000
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