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Ho(Er3Tm)2

Alexandria ALEX

Alex-ID: agm032392383 · Space group: C2/m (#12)

Basic Information

Formula
Ho(Er3Tm)2
Alex-ID
agm032392383
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
272.13
ų
Cell a
9.3479
Å
Cell b
9.3479
Å
Cell c
9.3549
Å
α angle
64.57
°
β angle
115.43
°
γ angle
158.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Er3Tm)2
Ho
1.00 · 11.1%
Er
6.00 · 66.7%
Tm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0045
eV/atom
Formation energy
-0.0032
eV/atom
Corrected total energy
-40.9277
eV
Raw total energy
-40.9277
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8812
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C6_319_spg71

Decomposition

Er2Tm Er5Tm Ho7Er2

Computed at

2024-12-31 08:05:21

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: agm032392383).

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 agm032392383
data_agm032392383
_cell_length_a     9.34794
_cell_length_b     9.34794
_cell_length_c     9.35486
_cell_angle_alpha  64.56516
_cell_angle_beta   115.43484
_cell_angle_gamma  158.27368
_cell_volume       272.13325
_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 0.00000 0.00000 0.50000 1.00000
  Er1 Er 0.66682 0.33318 0.49970 1.00000
  Er2 Er 0.33318 0.66682 0.50030 1.00000
  Er3 Er 0.18555 0.81445 0.83419 1.00000
  Er4 Er 0.81445 0.18555 0.16581 1.00000
  Er5 Er 0.48119 0.51881 0.16536 1.00000
  Er6 Er 0.51881 0.48119 0.83464 1.00000
  Tm1 Tm 0.14790 0.85210 0.16607 1.00000
  Tm2 Tm 0.85210 0.14790 0.83393 1.00000
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