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Tb3Tm8

Alexandria ALEX

Alex-ID: agm008339581 · Space group: P-1 (#2)

Basic Information

Formula
Tb3Tm8
Alex-ID
agm008339581
Elements
2
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
333.71
ų
Cell a
6.0568
Å
Cell b
7.8276
Å
Cell c
7.8330
Å
α angle
107.41
°
β angle
104.95
°
γ angle
97.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3Tm8
Tb
3.00 · 27.3%
Tm
8.00 · 72.7%

Energy & Stability

Energy above hull
0.0312
eV/atom
Formation energy
0.0251
eV/atom
Corrected total energy
-49.3931
eV
Raw total energy
-49.3931
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.9324
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_107_spg2

Decomposition

Tb5Tm4 TbTm5

Computed at

2024-06-27 22:58:09.542523

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: agm008339581).

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 agm008339581
data_agm008339581
_cell_length_a     6.05679
_cell_length_b     7.82765
_cell_length_c     7.83297
_cell_angle_alpha  107.40945
_cell_angle_beta   104.94788
_cell_angle_gamma  97.39906
_cell_volume       333.70889
_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 0.86372 0.77258 0.45455 1.00000
  Tb2 Tb 0.50000 0.50000 0.00000 1.00000
  Tb3 Tb 0.13628 0.22742 0.54545 1.00000
  Tm1 Tm 0.68193 0.13589 0.72754 1.00000
  Tm2 Tm 0.04580 0.40826 0.18129 1.00000
  Tm3 Tm 0.31807 0.86411 0.27246 1.00000
  Tm4 Tm 0.59083 0.31807 0.36329 1.00000
  Tm5 Tm 0.22737 0.04536 0.90946 1.00000
  Tm6 Tm 0.40917 0.68193 0.63671 1.00000
  Tm7 Tm 0.77263 0.95464 0.09054 1.00000
  Tm8 Tm 0.95420 0.59174 0.81871 1.00000
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