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Ho7Tm2

Alexandria ALEX

Alex-ID: agm009593233 · Space group: C2/m (#12)

Basic Information

Formula
Ho7Tm2
Alex-ID
agm009593233
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
274.07
ų
Cell a
7.8113
Å
Cell b
7.8113
Å
Cell c
10.5433
Å
α angle
77.01
°
β angle
77.01
°
γ angle
25.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7Tm2
Ho
7.00 · 77.8%
Tm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0222
eV/atom
Formation energy
0.0186
eV/atom
Corrected total energy
-40.8249
eV
Raw total energy
-40.8248
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.2442
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

Ho7Tm2

Computed at

2024-05-14 02:59:57.882572

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: agm009593233).

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 agm009593233
data_agm009593233
_cell_length_a     7.81125
_cell_length_b     7.81125
_cell_length_c     10.54335
_cell_angle_alpha  77.01098
_cell_angle_beta   77.01098
_cell_angle_gamma  25.96564
_cell_volume       274.06625
_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 0.00008 0.00008 0.33281 1.00000
  Ho2 Ho 0.99992 0.99992 0.66719 1.00000
  Ho3 Ho 0.33319 0.33319 0.22135 1.00000
  Ho4 Ho 0.66681 0.66681 0.77865 1.00000
  Ho5 Ho 0.66662 0.66662 0.44399 1.00000
  Ho6 Ho 0.33338 0.33338 0.55601 1.00000
  Ho7 Ho 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.66681 0.66681 0.11066 1.00000
  Tm2 Tm 0.33319 0.33319 0.88934 1.00000
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