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TmCd2(GaPt)2

Alexandria ALEX

Alex-ID: agm024126878 · Space group: R-3m (#166)

Basic Information

Formula
TmCd2(GaPt)2
Alex-ID
agm024126878
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
134.06
ų
Cell a
4.4986
Å
Cell b
4.4986
Å
Cell c
8.1046
Å
α angle
73.69
°
β angle
106.31
°
γ angle
120.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TmCd2(GaPt)2
Tm
1.00 · 14.3%
Cd
2.00 · 28.6%
Ga
2.00 · 28.6%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0279
eV/atom
Formation energy
-0.6664
eV/atom
Corrected total energy
-29.2180
eV
Raw total energy
-29.2180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6535
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_16_spg166

Decomposition

Tm4Ga6Pt7 Ga2Pt Cd

Computed at

2025-04-18 01:46:06

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: agm024126878).

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 agm024126878
data_agm024126878
_cell_length_a     4.49864
_cell_length_b     4.49864
_cell_length_c     8.10458
_cell_angle_alpha  73.69199
_cell_angle_beta   106.30801
_cell_angle_gamma  120.23912
_cell_volume       134.06445
_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
  Tm1 Tm 0.00000 0.00000 0.50000 1.00000
  Cd1 Cd 0.13564 0.86436 0.90866 1.00000
  Cd2 Cd 0.86436 0.13564 0.09134 1.00000
  Ga1 Ga 0.60272 0.39728 0.30744 1.00000
  Ga2 Ga 0.39728 0.60272 0.69256 1.00000
  Pt1 Pt 0.73647 0.26353 0.71102 1.00000
  Pt2 Pt 0.26353 0.73647 0.28898 1.00000
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