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Ho5Tm13

Alexandria ALEX

Alex-ID: agm013710071 · Space group: Cm (#8)

Basic Information

Formula
Ho5Tm13
Alex-ID
agm013710071
Elements
2
Sites
18
Space group
Cm (#8)
Crystal system
monoclinic
Volume
542.88
ų
Cell a
10.0007
Å
Cell b
10.0007
Å
Cell c
6.0909
Å
α angle
84.17
°
β angle
95.83
°
γ angle
116.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Tm13
Ho
5.00 · 27.8%
Tm
13.00 · 72.2%

Energy & Stability

Energy above hull
0.0102
eV/atom
Formation energy
0.0015
eV/atom
Corrected total energy
-80.9954
eV
Raw total energy
-80.9954
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0127
eV
DOS at Fermi level
24.2783
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

A5B13_7_spg8

Decomposition

HoTm2 HoTm5

Computed at

2025-01-20 23:57:21

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: agm013710071).

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 agm013710071
data_agm013710071
_cell_length_a     10.00074
_cell_length_b     10.00074
_cell_length_c     6.09088
_cell_angle_alpha  84.17073
_cell_angle_beta   95.82927
_cell_angle_gamma  116.15246
_cell_volume       542.88457
_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 0.49945 0.50055 0.60975 1.00000
  Ho2 Ho 0.16637 0.83363 0.49959 1.00000
  Ho3 Ho 0.83393 0.16607 0.38976 1.00000
  Ho4 Ho 0.66658 0.33342 0.99999 1.00000
  Ho5 Ho 0.33382 0.66618 0.88984 1.00000
  Tm1 Tm 0.16614 0.16707 0.61095 1.00000
  Tm2 Tm 0.83293 0.83386 0.61095 1.00000
  Tm3 Tm 0.33225 0.33318 0.11109 1.00000
  Tm4 Tm 0.66682 0.66775 0.11109 1.00000
  Tm5 Tm 0.99962 0.66682 0.00007 1.00000
  Tm6 Tm 0.33318 0.00038 0.00007 1.00000
  Tm7 Tm 0.66721 0.99938 0.88926 1.00000
  Tm8 Tm 0.00062 0.33279 0.88926 1.00000
  Tm9 Tm 0.16670 0.49929 0.38899 1.00000
  Tm10 Tm 0.49958 0.16635 0.50009 1.00000
  Tm11 Tm 0.50071 0.83330 0.38899 1.00000
  Tm12 Tm 0.83365 0.50042 0.50009 1.00000
  Tm13 Tm 0.99954 0.00046 0.10994 1.00000
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