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Tb2Cd3Pt2

Alexandria ALEX

Alex-ID: agm009259052 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Cd3Pt2
Alex-ID
agm009259052
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
155.11
ų
Cell a
5.4203
Å
Cell b
5.4203
Å
Cell c
7.4509
Å
α angle
72.27
°
β angle
72.27
°
γ angle
48.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Cd3Pt2
Tb
2.00 · 28.6%
Cd
3.00 · 42.9%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0244
eV/atom
Formation energy
-0.7243
eV/atom
Corrected total energy
-29.2817
eV
Raw total energy
-29.2817
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0347
eV
DOS at Fermi level
4.7031
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_1722_spg2

Decomposition

TbCdPt Cd

Computed at

2024-05-03 16:04:29.703684

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: agm009259052).

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 agm009259052
data_agm009259052
_cell_length_a     5.42030
_cell_length_b     5.42030
_cell_length_c     7.45091
_cell_angle_alpha  72.27460
_cell_angle_beta   72.27460
_cell_angle_gamma  48.74679
_cell_volume       155.10852
_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
  Tb1 Tb 0.85787 0.85787 0.78983 1.00000
  Tb2 Tb 0.14213 0.14213 0.21017 1.00000
  Cd1 Cd 0.50000 0.50000 0.00000 1.00000
  Cd2 Cd 0.62707 0.62707 0.56021 1.00000
  Cd3 Cd 0.37293 0.37293 0.43979 1.00000
  Pt1 Pt 0.83893 0.83893 0.19329 1.00000
  Pt2 Pt 0.16107 0.16107 0.80671 1.00000
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