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Dy2Er5Tm2

Alexandria ALEX

Alex-ID: agm009154131 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Er5Tm2
Alex-ID
agm009154131
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
273.43
ų
Cell a
3.4928
Å
Cell b
8.5943
Å
Cell c
9.2757
Å
α angle
90.20
°
β angle
79.12
°
γ angle
90.06
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Er5Tm2
Dy
2.00 · 22.2%
Er
5.00 · 55.6%
Tm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0297
eV/atom
Formation energy
0.0227
eV/atom
Corrected total energy
-40.7605
eV
Raw total energy
-40.7605
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.1828
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_312_spg12

Decomposition

Er2Tm Dy7Er2 Er5Tm

Computed at

2024-05-09 15:02:54.052062

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: agm009154131).

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 agm009154131
data_agm009154131
_cell_length_a     3.49280
_cell_length_b     8.59432
_cell_length_c     9.27571
_cell_angle_alpha  90.20279
_cell_angle_beta   79.11908
_cell_angle_gamma  90.05647
_cell_volume       273.43240
_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
  Dy1 Dy 0.88890 0.33254 0.22231 1.00000
  Dy2 Dy 0.11110 0.66746 0.77769 1.00000
  Er1 Er 0.77790 0.66749 0.44424 1.00000
  Er2 Er 0.22210 0.33251 0.55576 1.00000
  Er3 Er 0.55559 0.33252 0.88836 1.00000
  Er4 Er 0.44441 0.66748 0.11164 1.00000
  Er5 Er 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.66686 0.00011 0.66630 1.00000
  Tm2 Tm 0.33314 0.99989 0.33370 1.00000
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