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Ho5(ErTm)2

Alexandria ALEX

Alex-ID: agm009676740 · Space group: C2/m (#12)

Basic Information

Formula
Ho5(ErTm)2
Alex-ID
agm009676740
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
273.56
ų
Cell a
6.0694
Å
Cell b
6.0694
Å
Cell c
10.4961
Å
α angle
73.32
°
β angle
73.32
°
γ angle
48.18
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5(ErTm)2
Ho
5.00 · 55.6%
Er
2.00 · 22.2%
Tm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0281
eV/atom
Formation energy
0.0226
eV/atom
Corrected total energy
-40.7577
eV
Raw total energy
-40.7577
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.3181
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_206_spg12

Decomposition

ErTm2 ErTm5 Ho7Er2

Computed at

2024-05-14 03:07:03.501710

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: agm009676740).

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 agm009676740
data_agm009676740
_cell_length_a     6.06943
_cell_length_b     6.06943
_cell_length_c     10.49608
_cell_angle_alpha  73.31934
_cell_angle_beta   73.31934
_cell_angle_gamma  48.18456
_cell_volume       273.55669
_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 0.33363 0.88868 1.00000
  Ho2 Ho 0.66637 0.66637 0.11132 1.00000
  Ho3 Ho 0.66665 0.66665 0.44453 1.00000
  Ho4 Ho 0.33335 0.33335 0.55547 1.00000
  Ho5 Ho 0.00000 0.00000 0.00000 1.00000
  Er1 Er 0.33334 0.33334 0.22245 1.00000
  Er2 Er 0.66666 0.66666 0.77755 1.00000
  Tm1 Tm 0.00006 0.00006 0.33364 1.00000
  Tm2 Tm 0.99994 0.99994 0.66636 1.00000
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