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Tb2Pm7Ho2

Alexandria ALEX

Alex-ID: agm005568628 · Space group: Imm2 (#44)

Basic Information

Formula
Tb2Pm7Ho2
Alex-ID
agm005568628
Elements
3
Sites
11
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
372.06
ų
Cell a
5.6542
Å
Cell b
8.1877
Å
Cell c
9.4521
Å
α angle
115.67
°
β angle
107.40
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Pm7Ho2
Tb
2.00 · 18.2%
Pm
7.00 · 63.6%
Ho
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1156
eV/atom
Formation energy
0.1120
eV/atom
Corrected total energy
-50.4441
eV
Raw total energy
-50.4441
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.2499
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_228_spg44

Decomposition

TbPm3Ho4 Tb5Pm3 Pm

Computed at

2023-06-04 23:08:53.162128

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: agm005568628).

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 agm005568628
data_agm005568628
_cell_length_a     5.65420
_cell_length_b     8.18768
_cell_length_c     9.45209
_cell_angle_alpha  115.66541
_cell_angle_beta   107.40343
_cell_angle_gamma  90.00000
_cell_volume       372.06121
_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 0.29922 0.92079 0.59844 1.00000
  Tb2 Tb 0.70078 0.32235 0.40156 1.00000
  Pm1 Pm 0.13509 0.05245 0.27018 1.00000
  Pm2 Pm 0.13333 0.45962 0.26666 1.00000
  Pm3 Pm 0.50000 0.91947 1.00000 1.00000
  Pm4 Pm 0.33699 0.46014 0.67397 1.00000
  Pm5 Pm 0.66301 0.78617 0.32603 1.00000
  Pm6 Pm 0.86491 0.78228 0.72982 1.00000
  Pm7 Pm 0.86667 0.19297 0.73334 1.00000
  Ho1 Ho 0.00000 0.62200 0.00000 1.00000
  Ho2 Ho 0.50000 0.33563 0.00000 1.00000
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