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Dy5Er3Tm2

Alexandria ALEX

Alex-ID: agm005602974 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Dy5Er3Tm2
Alex-ID
agm005602974
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
637.40
ų
Cell a
9.4230
Å
Cell b
9.3983
Å
Cell c
9.3779
Å
α angle
108.25
°
β angle
108.36
°
γ angle
111.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Er3Tm2
Dy
10.00 · 50.0%
Er
6.00 · 30.0%
Tm
4.00 · 20.0%

Energy & Stability

Energy above hull
0.2108
eV/atom
Formation energy
0.2054
eV/atom
Corrected total energy
-87.1927
eV
Raw total energy
-87.1927
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0128
eV
DOS at Fermi level
37.8440
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C5_183_spg15

Decomposition

Er2Tm ErTm2 Dy7Er2

Computed at

2023-06-16 20:44:24.204547

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: agm005602974).

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 agm005602974
data_agm005602974
_cell_length_a     9.42301
_cell_length_b     9.39826
_cell_length_c     9.37794
_cell_angle_alpha  108.25345
_cell_angle_beta   108.36280
_cell_angle_gamma  111.95810
_cell_volume       637.40172
_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 0.22405 0.47404 0.94809 1.00000
  Dy2 Dy 0.77595 0.52596 0.05191 1.00000
  Dy3 Dy 0.97215 0.72215 0.44431 1.00000
  Dy4 Dy 0.47767 0.22767 0.45535 1.00000
  Dy5 Dy 0.02785 0.27785 0.55569 1.00000
  Dy6 Dy 0.52233 0.77233 0.54465 1.00000
  Dy7 Dy 0.89305 0.60599 0.74703 1.00000
  Dy8 Dy 0.10695 0.39401 0.25297 1.00000
  Dy9 Dy 0.35398 0.14104 0.74703 1.00000
  Dy10 Dy 0.64602 0.85896 0.25297 1.00000
  Er1 Er 0.27141 0.02141 0.04281 1.00000
  Er2 Er 0.72859 0.97859 0.95719 1.00000
  Er3 Er 0.51180 0.46556 0.24496 1.00000
  Er4 Er 0.48820 0.53444 0.75504 1.00000
  Er5 Er 0.23316 0.77940 0.24496 1.00000
  Er6 Er 0.76684 0.22060 0.75504 1.00000
  Tm1 Tm 0.96453 0.01133 0.74459 1.00000
  Tm2 Tm 0.03547 0.98867 0.25541 1.00000
  Tm3 Tm 0.28006 0.73325 0.74459 1.00000
  Tm4 Tm 0.71994 0.26675 0.25541 1.00000
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