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Tm10Sb5Pt

Alexandria ALEX

Alex-ID: agm022693950 · Space group: Pmc2_1 (#26)

Basic Information

Formula
Tm10Sb5Pt
Alex-ID
agm022693950
Elements
3
Sites
32
Space group
Pmc2_1 (#26)
Crystal system
orthorhombic
Volume
854.79
ų
Cell a
7.8984
Å
Cell b
9.1548
Å
Cell c
11.8214
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm10Sb5Pt
Tm
20.00 · 62.5%
Sb
10.00 · 31.3%
Pt
2.00 · 6.3%

Energy & Stability

Energy above hull
0.0026
eV/atom
Formation energy
-0.9087
eV/atom
Corrected total energy
-171.9082
eV
Raw total energy
-171.9082
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0036
eV
DOS at Fermi level
27.8582
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB5C10_9_spg26

Decomposition

Tm5Sb3 Tm5Sb2Pt

Computed at

2025-01-21 20:39:47

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: agm022693950).

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 agm022693950
data_agm022693950
_cell_length_a     7.89844
_cell_length_b     9.15483
_cell_length_c     11.82144
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       854.79443
_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 0.93486 0.68406 0.43430 1.00000
  Tm2 Tm 0.06514 0.31594 0.93430 1.00000
  Tm3 Tm 0.56591 0.21295 0.56780 1.00000
  Tm4 Tm 0.43409 0.78705 0.06780 1.00000
  Tm5 Tm 0.56591 0.78705 0.56780 1.00000
  Tm6 Tm 0.43409 0.21295 0.06780 1.00000
  Tm7 Tm 0.93486 0.31594 0.43430 1.00000
  Tm8 Tm 0.06514 0.68406 0.93430 1.00000
  Tm9 Tm 0.07389 0.00000 0.22603 1.00000
  Tm10 Tm 0.92611 0.00000 0.72603 1.00000
  Tm11 Tm 0.41399 0.50000 0.78701 1.00000
  Tm12 Tm 0.58601 0.50000 0.28701 1.00000
  Tm13 Tm 0.76871 0.00000 0.00546 1.00000
  Tm14 Tm 0.23129 0.00000 0.50546 1.00000
  Tm15 Tm 0.70227 0.50000 0.99939 1.00000
  Tm16 Tm 0.29773 0.50000 0.49939 1.00000
  Tm17 Tm 0.59297 0.00000 0.28594 1.00000
  Tm18 Tm 0.40703 0.00000 0.78594 1.00000
  Tm19 Tm 0.88528 0.50000 0.70015 1.00000
  Tm20 Tm 0.11472 0.50000 0.20015 1.00000
  Sb1 Sb 0.31323 0.23973 0.32776 1.00000
  Sb2 Sb 0.68677 0.76027 0.82776 1.00000
  Sb3 Sb 0.18269 0.74193 0.67342 1.00000
  Sb4 Sb 0.81731 0.25807 0.17342 1.00000
  Sb5 Sb 0.18269 0.25807 0.67342 1.00000
  Sb6 Sb 0.81731 0.74193 0.17342 1.00000
  Sb7 Sb 0.31323 0.76027 0.32776 1.00000
  Sb8 Sb 0.68677 0.23973 0.82776 1.00000
  Sb9 Sb 0.84467 0.00000 0.47399 1.00000
  Sb10 Sb 0.15533 0.00000 0.97399 1.00000
  Pt1 Pt 0.66572 0.50000 0.51460 1.00000
  Pt2 Pt 0.33428 0.50000 0.01460 1.00000
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