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Tb2Al2Os2C

Alexandria ALEX

Alex-ID: agm004545474 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Tb2Al2Os2C
Alex-ID
agm004545474
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
129.00
ų
Cell a
4.1555
Å
Cell b
6.0007
Å
Cell c
5.9974
Å
α angle
72.87
°
β angle
69.73
°
γ angle
69.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Al2Os2C
Tb
2.00 · 28.6%
Al
2.00 · 28.6%
Os
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4626
eV/atom
Corrected total energy
-51.6771
eV
Raw total energy
-51.6771
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0137
eV
DOS at Fermi level
3.2951
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_158_spg12

Decomposition

Tb2Al2Os2C

Computed at

2022-06-22 00:37:46.013068

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: agm004545474).

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 agm004545474
data_agm004545474
_cell_length_a     4.15551
_cell_length_b     6.00066
_cell_length_c     5.99741
_cell_angle_alpha  72.87427
_cell_angle_beta   69.73013
_cell_angle_gamma  69.74159
_cell_volume       128.99716
_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 0.56059 0.16759 0.71124 1.00000
  Tb2 Tb 0.43941 0.83241 0.28876 1.00000
  Al1 Al 0.15370 0.39345 0.29915 1.00000
  Al2 Al 0.84630 0.60655 0.70085 1.00000
  Os1 Os 0.19912 0.69701 0.90476 1.00000
  Os2 Os 0.80088 0.30299 0.09524 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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