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HoTm2

Alexandria ALEX

Alex-ID: agm010201047 · Space group: C2/m (#12)

Basic Information

Formula
HoTm2
Alex-ID
agm010201047
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
180.45
ų
Cell a
6.0448
Å
Cell b
6.0448
Å
Cell c
6.9911
Å
α angle
73.19
°
β angle
106.81
°
γ angle
131.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoTm2
Ho
2.00 · 33.3%
Tm
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0325
eV/atom
Formation energy
0.0243
eV/atom
Corrected total energy
-26.8973
eV
Raw total energy
-26.8973
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
7.8059
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_1_spg227

Decomposition

HoTm2

Computed at

2025-04-16 14:51:12

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: agm010201047).

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 agm010201047
data_agm010201047
_cell_length_a     6.04483
_cell_length_b     6.04483
_cell_length_c     6.99114
_cell_angle_alpha  73.19168
_cell_angle_beta   106.80832
_cell_angle_gamma  131.86539
_cell_volume       180.44886
_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 0.83322 0.16678 0.91643 1.00000
  Ho2 Ho 0.16678 0.83322 0.08357 1.00000
  Tm1 Tm 0.16636 0.83364 0.58287 1.00000
  Tm2 Tm 0.50040 0.49960 0.25074 1.00000
  Tm3 Tm 0.49960 0.50040 0.74926 1.00000
  Tm4 Tm 0.83364 0.16636 0.41713 1.00000
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