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HEAS Data Platform · Materials Science Database

Tm8Ag4Os

Alexandria ALEX

Alex-ID: agm098014113 · Space group: Pm (#6)

Basic Information

Formula
Tm8Ag4Os
Alex-ID
agm098014113
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
334.29
ų
Cell a
4.6819
Å
Cell b
8.4290
Å
Cell c
9.0148
Å
α angle
110.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8Ag4Os
Tm
8.00 · 61.5%
Ag
4.00 · 30.8%
Os
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1400
eV/atom
Formation energy
-0.1639
eV/atom
Corrected total energy
-60.5371
eV
Raw total energy
-60.5371
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0290
eV
DOS at Fermi level
15.0283
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_640_spg1

Decomposition

Tm3Os TmAg Tm

Computed at

2025-06-01 21:26:03

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: agm098014113).

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 agm098014113
data_agm098014113
_cell_length_a     4.68192
_cell_length_b     8.42902
_cell_length_c     9.01477
_cell_angle_alpha  110.00443
_cell_angle_beta   90.00173
_cell_angle_gamma  89.99699
_cell_volume       334.29458
_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 0.30775 0.10094 0.42367 1.00000
  Tm2 Tm 0.30771 0.20865 0.87470 1.00000
  Tm3 Tm 0.30766 0.58904 0.20506 1.00000
  Tm4 Tm 0.30768 0.73685 0.85749 1.00000
  Tm5 Tm 0.80769 0.27500 0.21061 1.00000
  Tm6 Tm 0.80766 0.42321 0.67112 1.00000
  Tm7 Tm 0.80770 0.87067 0.15975 1.00000
  Tm8 Tm 0.80759 0.72316 0.51151 1.00000
  Ag1 Ag 0.80770 0.96666 0.87201 1.00000
  Ag2 Ag 0.80782 0.07628 0.61286 1.00000
  Ag3 Ag 0.80767 0.49626 0.00064 1.00000
  Ag4 Ag 0.30763 0.48323 0.48946 1.00000
  Os1 Os 0.30774 0.05003 0.11111 1.00000
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