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Tb2Mn

Alexandria ALEX

Alex-ID: agm002376971 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Mn
Alex-ID
agm002376971
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
155.09
ų
Cell a
7.1960
Å
Cell b
8.2547
Å
Cell c
6.4444
Å
α angle
123.03
°
β angle
97.00
°
γ angle
131.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Mn
Mn
2.00 · 33.3%
Tb
4.00 · 66.7%

Energy & Stability

Energy above hull
0.1379
eV/atom
Formation energy
0.1379
eV/atom
Corrected total energy
-36.0410
eV
Raw total energy
-36.0410
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
7.7712
Total magnetisation
4.3545
μB

Additional Information

Prototype ID

AB2_67_spg12

Decomposition

Mn Tb

Computed at

2019-05-12 01:43:46

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: agm002376971).

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 agm002376971
data_agm002376971
_cell_length_a     7.19603
_cell_length_b     8.25466
_cell_length_c     6.44439
_cell_angle_alpha  123.03126
_cell_angle_beta   96.99784
_cell_angle_gamma  131.33304
_cell_volume       155.08608
_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
  Mn1 Mn 0.11248 0.94536 0.88654 1.00000
  Mn2 Mn 0.88749 0.05467 0.11346 1.00000
  Tb1 Tb 0.59022 0.71530 0.41114 1.00000
  Tb2 Tb 0.16863 0.59309 0.83086 1.00000
  Tb3 Tb 0.40975 0.28473 0.58886 1.00000
  Tb4 Tb 0.83133 0.40696 0.16916 1.00000
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