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Ho9Tm4In11

Alexandria ALEX

Alex-ID: agm005745754 · Space group: Cmmm (#65)

Basic Information

Formula
Ho9Tm4In11
Alex-ID
agm005745754
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
636.19
ų
Cell a
3.4824
Å
Cell b
14.0076
Å
Cell c
14.0076
Å
α angle
111.40
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho9Tm4In11
Ho
9.00 · 37.5%
Tm
4.00 · 16.7%
In
11.00 · 45.8%

Energy & Stability

Energy above hull
0.0515
eV/atom
Formation energy
-0.3632
eV/atom
Corrected total energy
-98.2767
eV
Raw total energy
-98.2767
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0099
eV
DOS at Fermi level
17.0994
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A4B9C11_7_spg65

Decomposition

Tm5In4 Ho5In4 HoIn

Computed at

2023-07-10 22:40:34.245512

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: agm005745754).

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 agm005745754
data_agm005745754
_cell_length_a     3.48245
_cell_length_b     14.00756
_cell_length_c     14.00756
_cell_angle_alpha  111.39858
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       636.19341
_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 0.50000 0.61290 0.16420 1.00000
  Ho2 Ho 0.50000 0.38710 0.83580 1.00000
  Ho3 Ho 0.50000 0.16420 0.61290 1.00000
  Ho4 Ho 0.50000 0.83580 0.38710 1.00000
  Ho5 Ho 0.50000 0.79642 0.98560 1.00000
  Ho6 Ho 0.50000 0.20358 0.01440 1.00000
  Ho7 Ho 0.50000 0.98560 0.79642 1.00000
  Ho8 Ho 0.50000 0.01440 0.20358 1.00000
  Ho9 Ho 0.50000 0.50000 0.50000 1.00000
  Tm1 Tm 0.50000 0.58901 0.75281 1.00000
  Tm2 Tm 0.50000 0.41099 0.24719 1.00000
  Tm3 Tm 0.50000 0.75281 0.58901 1.00000
  Tm4 Tm 0.50000 0.24719 0.41099 1.00000
  In1 In 0.00000 0.59066 0.95580 1.00000
  In2 In 0.00000 0.40934 0.04420 1.00000
  In3 In 0.00000 0.95580 0.59066 1.00000
  In4 In 0.00000 0.04420 0.40934 1.00000
  In5 In 0.00000 0.62119 0.37881 1.00000
  In6 In 0.00000 0.37881 0.62119 1.00000
  In7 In 0.00000 0.81320 0.18680 1.00000
  In8 In 0.00000 0.18680 0.81320 1.00000
  In9 In 0.00000 0.00000 0.00000 1.00000
  In10 In 0.00000 0.79065 0.79065 1.00000
  In11 In 0.00000 0.20935 0.20935 1.00000
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