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TbTm3Os

Alexandria ALEX

Alex-ID: agm005804756 · Space group: C2/m (#12)

Basic Information

Formula
TbTm3Os
Alex-ID
agm005804756
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
277.35
ų
Cell a
3.5554
Å
Cell b
9.4624
Å
Cell c
8.7534
Å
α angle
105.53
°
β angle
101.72
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbTm3Os
Tb
2.00 · 20.0%
Tm
6.00 · 60.0%
Os
2.00 · 20.0%

Energy & Stability

Energy above hull
0.2529
eV/atom
Formation energy
0.0021
eV/atom
Corrected total energy
-58.5319
eV
Raw total energy
-58.5318
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
12.4017
Total magnetisation
0.6173
μB

Additional Information

Prototype ID

ABC3_2567_spg12

Decomposition

Tm3Os Tb

Computed at

2023-07-06 00:47:47.509936

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: agm005804756).

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 agm005804756
data_agm005804756
_cell_length_a     3.55540
_cell_length_b     9.46238
_cell_length_c     8.75338
_cell_angle_alpha  105.53349
_cell_angle_beta   101.71756
_cell_angle_gamma  90.00000
_cell_volume       277.35494
_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
  Tb1 Tb 0.69307 0.30954 0.38613 1.00000
  Tb2 Tb 0.30693 0.69046 0.61387 1.00000
  Tm1 Tm 0.00100 0.17533 0.00200 1.00000
  Tm2 Tm 0.99900 0.82467 0.99800 1.00000
  Tm3 Tm 0.31484 0.12841 0.62967 1.00000
  Tm4 Tm 0.68516 0.87159 0.37033 1.00000
  Tm5 Tm 0.09809 0.54260 0.19618 1.00000
  Tm6 Tm 0.90191 0.45740 0.80382 1.00000
  Os1 Os 0.86287 0.93512 0.72575 1.00000
  Os2 Os 0.13713 0.06488 0.27425 1.00000
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