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Ho13Tm5

Alexandria ALEX

Alex-ID: agm063592880 · Space group: C2/m (#12)

Basic Information

Formula
Ho13Tm5
Alex-ID
agm063592880
Elements
2
Sites
18
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
550.38
ų
Cell a
6.1347
Å
Cell b
6.1347
Å
Cell c
17.0054
Å
α angle
86.54
°
β angle
93.46
°
γ angle
60.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho13Tm5
Ho
13.00 · 72.2%
Tm
5.00 · 27.8%

Energy & Stability

Energy above hull
0.0083
eV/atom
Formation energy
0.0041
eV/atom
Corrected total energy
-81.8042
eV
Raw total energy
-81.8042
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
23.4569
Total magnetisation
-0.0028
μB

Additional Information

Prototype ID

A5B13_10_spg65

Decomposition

HoTm2 Ho7Tm2

Computed at

2024-12-10 23:24:57

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: agm063592880).

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 agm063592880
data_agm063592880
_cell_length_a     6.13469
_cell_length_b     6.13469
_cell_length_c     17.00535
_cell_angle_alpha  86.53583
_cell_angle_beta   93.46417
_cell_angle_gamma  60.03504
_cell_volume       550.38164
_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
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Ho2 Ho 0.11154 0.88846 0.83347 1.00000
  Ho3 Ho 0.88846 0.11154 0.16653 1.00000
  Ho4 Ho 0.38947 0.61053 0.66689 1.00000
  Ho5 Ho 0.61053 0.38947 0.33311 1.00000
  Ho6 Ho 0.05559 0.27832 0.66693 1.00000
  Ho7 Ho 0.27832 0.05559 0.33307 1.00000
  Ho8 Ho 0.72168 0.94441 0.66693 1.00000
  Ho9 Ho 0.94441 0.72168 0.33307 1.00000
  Ho10 Ho 0.22176 0.44497 0.16642 1.00000
  Ho11 Ho 0.55503 0.77824 0.16642 1.00000
  Ho12 Ho 0.44497 0.22176 0.83358 1.00000
  Ho13 Ho 0.77824 0.55503 0.83358 1.00000
  Tm1 Tm 0.50000 0.50000 0.00000 1.00000
  Tm2 Tm 0.16662 0.16662 0.00000 1.00000
  Tm3 Tm 0.83338 0.83338 0.00000 1.00000
  Tm4 Tm 0.66669 0.66669 0.50000 1.00000
  Tm5 Tm 0.33331 0.33331 0.50000 1.00000
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