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TbPm5HoTm2

Alexandria ALEX

Alex-ID: agm005167283 · Space group: Cmc2_1 (#36)

Basic Information

Formula
TbPm5HoTm2
Alex-ID
agm005167283
Elements
4
Sites
18
Space group
Cmc2_1 (#36)
Crystal system
orthorhombic
Volume
606.01
ų
Cell a
5.6180
Å
Cell b
10.4959
Å
Cell c
10.6664
Å
α angle
90.00
°
β angle
90.00
°
γ angle
105.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPm5HoTm2
Tb
2.00 · 11.1%
Pm
10.00 · 55.6%
Ho
2.00 · 11.1%
Tm
4.00 · 22.2%

Energy & Stability

Energy above hull
0.1538
eV/atom
Formation energy
0.1489
eV/atom
Corrected total energy
-81.1342
eV
Raw total energy
-81.1342
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0044
eV
DOS at Fermi level
28.9990
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_204_spg36

Decomposition

TbPm3Ho4 Tb5Pm3 PmTm2 Pm

Computed at

2023-01-17 19:48:27.652479

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: agm005167283).

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 agm005167283
data_agm005167283
_cell_length_a     5.61800
_cell_length_b     10.49591
_cell_length_c     10.66640
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  105.52318
_cell_volume       606.01212
_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 0.80080 0.60160 0.51072 1.00000
  Tb2 Tb 0.19920 0.39840 0.01072 1.00000
  Pm1 Pm 0.38749 0.77498 0.02257 1.00000
  Pm2 Pm 0.71924 0.43848 0.81093 1.00000
  Pm3 Pm 0.48144 0.96289 0.74236 1.00000
  Pm4 Pm 0.29804 0.59608 0.70631 1.00000
  Pm5 Pm 0.98351 0.96703 0.51965 1.00000
  Pm6 Pm 0.61251 0.22502 0.52257 1.00000
  Pm7 Pm 0.28076 0.56152 0.31093 1.00000
  Pm8 Pm 0.51856 0.03711 0.24236 1.00000
  Pm9 Pm 0.70196 0.40392 0.20631 1.00000
  Pm10 Pm 0.01649 0.03297 0.01965 1.00000
  Ho1 Ho 0.58997 0.17994 0.95972 1.00000
  Ho2 Ho 0.41003 0.82006 0.45972 1.00000
  Tm1 Tm 0.88527 0.77055 0.81231 1.00000
  Tm2 Tm 0.11119 0.22239 0.73939 1.00000
  Tm3 Tm 0.11473 0.22945 0.31231 1.00000
  Tm4 Tm 0.88881 0.77761 0.23939 1.00000
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