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Ho2Er2TmTl2

Alexandria ALEX

Alex-ID: agm025894208 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Er2TmTl2
Alex-ID
agm025894208
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
201.58
ų
Cell a
6.7668
Å
Cell b
6.7668
Å
Cell c
8.5334
Å
α angle
80.16
°
β angle
99.84
°
γ angle
148.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Er2TmTl2
Ho
2.00 · 28.6%
Er
2.00 · 28.6%
Tm
1.00 · 14.3%
Tl
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0329
eV/atom
Formation energy
-0.1987
eV/atom
Corrected total energy
-28.8775
eV
Raw total energy
-28.8775
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2098
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

Er2Tm ErTm2 Ho3Er2Tl3

Computed at

2025-06-22 14:08:16

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: agm025894208).

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 agm025894208
data_agm025894208
_cell_length_a     6.76680
_cell_length_b     6.76680
_cell_length_c     8.53345
_cell_angle_alpha  80.15714
_cell_angle_beta   99.84286
_cell_angle_gamma  148.38380
_cell_volume       201.57903
_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 0.86576 0.13424 0.06115 1.00000
  Ho2 Ho 0.13424 0.86576 0.93885 1.00000
  Er1 Er 0.26326 0.73674 0.33956 1.00000
  Er2 Er 0.73674 0.26326 0.66044 1.00000
  Tm1 Tm 0.00000 0.00000 0.50000 1.00000
  Tl1 Tl 0.43860 0.56140 0.76767 1.00000
  Tl2 Tl 0.56140 0.43860 0.23233 1.00000
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