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TbNd2(YTm)2

Alexandria ALEX

Alex-ID: agm024871910 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
TbNd2(YTm)2
Alex-ID
agm024871910
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
226.75
ų
Cell a
6.1950
Å
Cell b
6.1950
Å
Cell c
8.0053
Å
α angle
82.53
°
β angle
97.47
°
γ angle
131.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbNd2(YTm)2
Tb
1.00 · 14.3%
Nd
2.00 · 28.6%
Y
2.00 · 28.6%
Tm
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0316
eV/atom
Formation energy
0.0248
eV/atom
Corrected total energy
-35.8725
eV
Raw total energy
-35.8725
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9171
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

Tb5Nd3 TbTm5 NdY2 Nd

Computed at

2025-05-31 22:53:36

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: agm024871910).

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 agm024871910
data_agm024871910
_cell_length_a     6.19496
_cell_length_b     6.19496
_cell_length_c     8.00531
_cell_angle_alpha  82.52708
_cell_angle_beta   97.47292
_cell_angle_gamma  131.78350
_cell_volume       226.74923
_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 0.00000 0.00000 0.50000 1.00000
  Nd1 Nd 0.28686 0.71314 0.35476 1.00000
  Nd2 Nd 0.71314 0.28686 0.64524 1.00000
  Y1 Y 0.42807 0.57193 0.78922 1.00000
  Y2 Y 0.57193 0.42807 0.21078 1.00000
  Tm1 Tm 0.85718 0.14282 0.07129 1.00000
  Tm2 Tm 0.14282 0.85718 0.92871 1.00000
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