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Dy2YHoTm4

Alexandria ALEX

Alex-ID: agm020754757 · Space group: P1 (#1)

Basic Information

Formula
Dy2YHoTm4
Alex-ID
agm020754757
Elements
4
Sites
16
Space group
P1 (#1)
Crystal system
triclinic
Volume
498.72
ų
Cell a
6.6329
Å
Cell b
7.1872
Å
Cell c
11.0199
Å
α angle
80.61
°
β angle
85.87
°
γ angle
74.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2YHoTm4
Dy
4.00 · 25.0%
Y
2.00 · 12.5%
Ho
2.00 · 12.5%
Tm
8.00 · 50.0%

Energy & Stability

Energy above hull
0.0081
eV/atom
Formation energy
0.0008
eV/atom
Corrected total energy
-76.2568
eV
Raw total energy
-76.2568
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0055
eV
DOS at Fermi level
27.0823
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

ABC2D4_379_spg1

Decomposition

HoTm5 Dy5Ho DyTm5 Y5Tm

Computed at

2025-04-01 23:28:02

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: agm020754757).

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 agm020754757
data_agm020754757
_cell_length_a     6.63289
_cell_length_b     7.18719
_cell_length_c     11.01988
_cell_angle_alpha  80.60802
_cell_angle_beta   85.87328
_cell_angle_gamma  74.29047
_cell_volume       498.72212
_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 0.02035 0.93795 0.47810 1.00000
  Dy2 Dy 0.52047 0.93773 0.97860 1.00000
  Dy3 Dy 0.48175 0.06120 0.52118 1.00000
  Dy4 Dy 0.47973 0.56253 0.52213 1.00000
  Y1 Y 0.52006 0.43778 0.97894 1.00000
  Y2 Y 0.01990 0.43793 0.47848 1.00000
  Ho1 Ho 0.97973 0.56259 0.02199 1.00000
  Ho2 Ho 0.98166 0.06120 0.02106 1.00000
  Tm1 Tm 0.77113 0.18672 0.73011 1.00000
  Tm2 Tm 0.77172 0.68747 0.73031 1.00000
  Tm3 Tm 0.27072 0.18697 0.22950 1.00000
  Tm4 Tm 0.27130 0.68771 0.22971 1.00000
  Tm5 Tm 0.72781 0.31244 0.27028 1.00000
  Tm6 Tm 0.22757 0.31231 0.77091 1.00000
  Tm7 Tm 0.72818 0.81378 0.26904 1.00000
  Tm8 Tm 0.22791 0.81369 0.76967 1.00000
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