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Ho5(Tm6In)2

Alexandria ALEX

Alex-ID: agm003371900 · Space group: C2/m (#12)

Basic Information

Formula
Ho5(Tm6In)2
Alex-ID
agm003371900
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
571.63
ų
Cell a
9.1648
Å
Cell b
8.9046
Å
Cell c
8.1708
Å
α angle
90.97
°
β angle
90.00
°
γ angle
120.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5(Tm6In)2
Ho
5.00 · 26.3%
Tm
12.00 · 63.2%
In
2.00 · 10.5%

Energy & Stability

Energy above hull
0.1152
eV/atom
Formation energy
0.0004
eV/atom
Corrected total energy
-82.0821
eV
Raw total energy
-82.0821
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
27.2285
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B5C12_28_spg12

Decomposition

HoTm3In2 HoTm5 Ho2In

Computed at

2022-02-06 22:30:28.878313

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: agm003371900).

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 agm003371900
data_agm003371900
_cell_length_a     9.16480
_cell_length_b     8.90464
_cell_length_c     8.17082
_cell_angle_alpha  90.97201
_cell_angle_beta   90.00000
_cell_angle_gamma  120.97126
_cell_volume       571.63155
_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 0.23554 0.47108 0.57985 1.00000
  Ho2 Ho 0.30941 0.61882 0.99474 1.00000
  Ho3 Ho 0.00000 0.00000 0.50000 1.00000
  Ho4 Ho 0.69059 0.38118 0.00526 1.00000
  Ho5 Ho 0.76446 0.52892 0.42015 1.00000
  Tm1 Tm 0.91357 0.82715 0.11301 1.00000
  Tm2 Tm 0.03488 0.69941 0.76108 1.00000
  Tm3 Tm 0.66453 0.69941 0.76108 1.00000
  Tm4 Tm 0.17809 0.74906 0.33944 1.00000
  Tm5 Tm 0.57097 0.74906 0.33944 1.00000
  Tm6 Tm 0.44709 0.89418 0.67537 1.00000
  Tm7 Tm 0.55291 0.10582 0.32463 1.00000
  Tm8 Tm 0.82191 0.25094 0.66056 1.00000
  Tm9 Tm 0.42903 0.25094 0.66056 1.00000
  Tm10 Tm 0.96512 0.30059 0.23892 1.00000
  Tm11 Tm 0.33547 0.30059 0.23892 1.00000
  Tm12 Tm 0.08643 0.17285 0.88699 1.00000
  In1 In 0.68323 1.00000 1.00000 1.00000
  In2 In 0.31677 0.00000 0.00000 1.00000
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