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Ho8Er3Tm

Alexandria ALEX

Alex-ID: agm017356456 · Space group: Pm (#6)

Basic Information

Formula
Ho8Er3Tm
Alex-ID
agm017356456
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
367.37
ų
Cell a
8.7027
Å
Cell b
3.5418
Å
Cell c
12.2622
Å
α angle
90.00
°
β angle
103.59
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Er3Tm
Ho
8.00 · 66.7%
Er
3.00 · 25.0%
Tm
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0053
eV/atom
Formation energy
0.0010
eV/atom
Corrected total energy
-54.7757
eV
Raw total energy
-54.7757
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0050
eV
DOS at Fermi level
15.8747
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_851_spg6

Decomposition

Er2Tm ErTm2 Ho7Er2

Computed at

2025-01-18 08:20:28

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: agm017356456).

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 agm017356456
data_agm017356456
_cell_length_a     8.70266
_cell_length_b     3.54180
_cell_length_c     12.26217
_cell_angle_alpha  90.00000
_cell_angle_beta   103.59303
_cell_angle_gamma  90.00000
_cell_volume       367.37121
_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 0.41894 0.50000 0.06970 1.00000
  Ho2 Ho 0.41838 0.00000 0.31948 1.00000
  Ho3 Ho 0.08621 0.50000 0.34695 1.00000
  Ho4 Ho 0.08682 0.00000 0.59779 1.00000
  Ho5 Ho 0.75280 0.50000 0.45803 1.00000
  Ho6 Ho 0.75351 0.00000 0.70895 1.00000
  Ho7 Ho 0.75274 0.50000 0.95905 1.00000
  Ho8 Ho 0.41904 0.50000 0.57006 1.00000
  Er1 Er 0.08664 0.00000 0.09717 1.00000
  Er2 Er 0.41867 0.00000 0.81987 1.00000
  Er3 Er 0.08714 0.50000 0.84797 1.00000
  Tm1 Tm 0.75284 0.00000 0.20842 1.00000
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