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DyYHo5Tm2

Alexandria ALEX

Alex-ID: agm005154373 · Space group: Cmc2_1 (#36)

Basic Information

Formula
DyYHo5Tm2
Alex-ID
agm005154373
Elements
4
Sites
18
Space group
Cmc2_1 (#36)
Crystal system
orthorhombic
Volume
575.13
ų
Cell a
5.5551
Å
Cell b
10.2630
Å
Cell c
10.4789
Å
α angle
90.00
°
β angle
90.00
°
γ angle
105.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyYHo5Tm2
Dy
2.00 · 11.1%
Y
2.00 · 11.1%
Ho
10.00 · 55.6%
Tm
4.00 · 22.2%

Energy & Stability

Energy above hull
0.1716
eV/atom
Formation energy
0.1663
eV/atom
Corrected total energy
-82.8112
eV
Raw total energy
-82.8112
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
29.9069
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC2D5_204_spg36

Decomposition

DyHo8 Dy2Ho7 Y5Ho HoTm2

Computed at

2023-01-19 18:10:52.321198

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: agm005154373).

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 agm005154373
data_agm005154373
_cell_length_a     5.55511
_cell_length_b     10.26304
_cell_length_c     10.47887
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  105.70214
_cell_volume       575.12935
_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 0.80060 0.60120 0.51179 1.00000
  Dy2 Dy 0.19940 0.39880 0.01179 1.00000
  Y1 Y 0.58718 0.17436 0.95406 1.00000
  Y2 Y 0.41282 0.82564 0.45406 1.00000
  Ho1 Ho 0.39003 0.78006 0.02368 1.00000
  Ho2 Ho 0.71954 0.43907 0.80877 1.00000
  Ho3 Ho 0.47851 0.95703 0.73815 1.00000
  Ho4 Ho 0.30011 0.60023 0.70869 1.00000
  Ho5 Ho 0.98259 0.96518 0.52423 1.00000
  Ho6 Ho 0.60997 0.21994 0.52368 1.00000
  Ho7 Ho 0.28046 0.56093 0.30877 1.00000
  Ho8 Ho 0.52149 0.04297 0.23815 1.00000
  Ho9 Ho 0.69989 0.39977 0.20869 1.00000
  Ho10 Ho 0.01741 0.03482 0.02423 1.00000
  Tm1 Tm 0.88701 0.77402 0.81663 1.00000
  Tm2 Tm 0.10998 0.21995 0.73795 1.00000
  Tm3 Tm 0.11299 0.22598 0.31663 1.00000
  Tm4 Tm 0.89002 0.78005 0.23795 1.00000
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