Navigation

HEAS Data Platform · Materials Science Database

Tm8InAg2

Alexandria ALEX

Alex-ID: agm003535637 · Space group: C2/m (#12)

Basic Information

Formula
Tm8InAg2
Alex-ID
agm003535637
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
307.73
ų
Cell a
5.3402
Å
Cell b
8.2677
Å
Cell c
8.2677
Å
α angle
116.79
°
β angle
99.92
°
γ angle
99.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8InAg2
Tm
8.00 · 72.7%
In
1.00 · 9.1%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1445
eV/atom
Formation energy
-0.0697
eV/atom
Corrected total energy
-45.0109
eV
Raw total energy
-45.0109
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.7152
Total magnetisation
0.0013
μB

Additional Information

Prototype ID

AB2C8_281_spg12

Decomposition

Tm2In Tm TmAg

Computed at

2022-03-13 14:12:03.169963

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: agm003535637).

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 agm003535637
data_agm003535637
_cell_length_a     5.34017
_cell_length_b     8.26769
_cell_length_c     8.26769
_cell_angle_alpha  116.79148
_cell_angle_beta   99.91915
_cell_angle_gamma  99.91915
_cell_volume       307.73470
_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 0.89749 0.90807 0.67289 1.00000
  Tm2 Tm 0.89749 0.67289 0.90807 1.00000
  Tm3 Tm 0.30408 0.60505 0.60505 1.00000
  Tm4 Tm 0.50000 0.77152 0.22848 1.00000
  Tm5 Tm 0.50000 0.22848 0.77152 1.00000
  Tm6 Tm 0.69592 0.39495 0.39495 1.00000
  Tm7 Tm 0.10251 0.32711 0.09193 1.00000
  Tm8 Tm 0.10251 0.09193 0.32711 1.00000
  In1 In 0.50000 0.00000 0.00000 1.00000
  Ag1 Ag 0.00000 0.30468 0.69532 1.00000
  Ag2 Ag 0.00000 0.69532 0.30468 1.00000
Get direct link