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Tm8Zn4In

Alexandria ALEX

Alex-ID: agm097653634 · Space group: Amm2 (#38)

Basic Information

Formula
Tm8Zn4In
Alex-ID
agm097653634
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
328.52
ų
Cell a
4.6584
Å
Cell b
9.0972
Å
Cell c
8.8736
Å
α angle
60.88
°
β angle
90.00
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8Zn4In
Tm
8.00 · 61.5%
Zn
4.00 · 30.8%
In
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1517
eV/atom
Formation energy
-0.1441
eV/atom
Corrected total energy
-45.5274
eV
Raw total energy
-45.5274
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.2331
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1338_spg6

Decomposition

Tm8ZnIn3 Tm2Zn TmZn

Computed at

2025-06-19 22:30:58

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: agm097653634).

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 agm097653634
data_agm097653634
_cell_length_a     4.65842
_cell_length_b     9.09718
_cell_length_c     8.87360
_cell_angle_alpha  60.87992
_cell_angle_beta   89.99859
_cell_angle_gamma  90.01656
_cell_volume       328.51772
_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 0.69194 0.25415 0.11525 1.00000
  Tm2 Tm 0.69262 0.58214 0.21062 1.00000
  Tm3 Tm 0.69196 0.63513 0.68248 1.00000
  Tm4 Tm 0.69194 0.25338 0.63091 1.00000
  Tm5 Tm 0.19191 0.91860 0.32740 1.00000
  Tm6 Tm 0.19215 0.28389 0.35797 1.00000
  Tm7 Tm 0.19193 0.32085 0.83944 1.00000
  Tm8 Tm 0.19190 0.91856 0.75343 1.00000
  Zn1 Zn 0.19281 0.76008 0.11942 1.00000
  Zn2 Zn 0.19310 0.54086 0.98604 1.00000
  Zn3 Zn 0.19318 0.54088 0.47356 1.00000
  Zn4 Zn 0.69242 0.01756 0.49076 1.00000
  In1 In 0.69214 0.97394 0.01271 1.00000
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