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Tm4Ag3Pt

Alexandria ALEX

Alex-ID: agm062704697 · Space group: Pmma (#51)

Basic Information

Formula
Tm4Ag3Pt
Alex-ID
agm062704697
Elements
3
Sites
16
Space group
Pmma (#51)
Crystal system
orthorhombic
Volume
358.02
ų
Cell a
5.0008
Å
Cell b
7.1334
Å
Cell c
10.0362
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4Ag3Pt
Tm
8.00 · 50.0%
Ag
6.00 · 37.5%
Pt
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5915
eV/atom
Corrected total energy
-74.5202
eV
Raw total energy
-74.5202
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.1435
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_264_spg2

Decomposition

Tm4Ag3Pt

Computed at

2024-11-14 00:44:20.913824

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: agm062704697).

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 agm062704697
data_agm062704697
_cell_length_a     5.00082
_cell_length_b     7.13340
_cell_length_c     10.03621
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       358.02004
_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 0.75000 0.24768 0.13202 1.00000
  Tm2 Tm 0.25000 0.23512 0.38116 1.00000
  Tm3 Tm 0.25000 0.24768 0.86798 1.00000
  Tm4 Tm 0.75000 0.23512 0.61884 1.00000
  Tm5 Tm 0.25000 0.76488 0.38116 1.00000
  Tm6 Tm 0.75000 0.75232 0.13202 1.00000
  Tm7 Tm 0.75000 0.76488 0.61884 1.00000
  Tm8 Tm 0.25000 0.75232 0.86798 1.00000
  Ag1 Ag 0.75000 0.00000 0.88408 1.00000
  Ag2 Ag 0.25000 0.00000 0.11592 1.00000
  Ag3 Ag 0.25000 0.50000 0.13033 1.00000
  Ag4 Ag 0.25000 0.50000 0.62075 1.00000
  Ag5 Ag 0.75000 0.50000 0.86967 1.00000
  Ag6 Ag 0.75000 0.50000 0.37925 1.00000
  Pt1 Pt 0.75000 0.00000 0.36331 1.00000
  Pt2 Pt 0.25000 0.00000 0.63669 1.00000
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