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Ho2Er6Tm

Alexandria ALEX

Alex-ID: agm024694853 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Er6Tm
Alex-ID
agm024694853
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
273.08
ų
Cell a
9.3586
Å
Cell b
9.3586
Å
Cell c
9.3668
Å
α angle
64.57
°
β angle
115.43
°
γ angle
158.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Er6Tm
Ho
2.00 · 22.2%
Er
6.00 · 66.7%
Tm
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0038
eV/atom
Formation energy
-0.0028
eV/atom
Corrected total energy
-41.0309
eV
Raw total energy
-41.0309
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8091
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_569_spg12

Decomposition

Er5Tm Ho7Er2 HoEr5

Computed at

2025-03-16 04:30:32

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: agm024694853).

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 agm024694853
data_agm024694853
_cell_length_a     9.35860
_cell_length_b     9.35860
_cell_length_c     9.36681
_cell_angle_alpha  64.57173
_cell_angle_beta   115.42827
_cell_angle_gamma  158.27719
_cell_volume       273.07690
_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 0.33363 0.66637 0.00029 1.00000
  Ho2 Ho 0.66637 0.33363 0.99971 1.00000
  Er1 Er 0.85207 0.14793 0.33434 1.00000
  Er2 Er 0.14793 0.85207 0.66566 1.00000
  Er3 Er 0.81470 0.18530 0.66609 1.00000
  Er4 Er 0.18530 0.81470 0.33391 1.00000
  Er5 Er 0.51873 0.48127 0.33382 1.00000
  Er6 Er 0.48127 0.51873 0.66618 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
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