Dy(YEr6)2

Alexandria ALEX

Alex-ID: agm005776165 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Dy(YEr6)2

Alex-ID

agm005776165

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

937.09

Å³

Cell a

6.6709

Cell b

6.6709

Cell c

23.2405

α angle

92.38

β angle

92.38

γ angle

114.66

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy(YEr6)2

2.00 · 6.7%

4.00 · 13.3%

24.00 · 80.0%

Energy & Stability

Energy above hull

0.0780

eV/atom

Formation energy

0.0723

eV/atom

Corrected total energy

-142.3991

Raw total energy

-142.3991

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0080

DOS at Fermi level

50.3768

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB2C12_80_spg65

Decomposition

Dy5Er4 YEr5 DyEr5

Computed at

2023-07-18 17:11:12.595969

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: agm005776165).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005776165
data_agm005776165
_cell_length_a     6.67089
_cell_length_b     6.67089
_cell_length_c     23.24049
_cell_angle_alpha  92.38129
_cell_angle_beta   92.38105
_cell_angle_gamma  114.66268
_cell_volume       937.09037
_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 0.49994 0.99994 0.00003 1.00000
  Dy2 Dy 0.00006 0.50006 0.99996 1.00000
  Y1 Y 0.57104 0.07104 0.28495 1.00000
  Y2 Y 0.07097 0.57097 0.28498 1.00000
  Y3 Y 0.92896 0.42896 0.71505 1.00000
  Y4 Y 0.42903 0.92903 0.71502 1.00000
  Er1 Er 0.70131 0.70133 0.80717 1.00000
  Er2 Er 0.20133 0.20131 0.80717 1.00000
  Er3 Er 0.98172 0.98161 0.93321 1.00000
  Er4 Er 0.21382 0.71382 0.85348 1.00000
  Er5 Er 0.08040 0.08036 0.32252 1.00000
  Er6 Er 0.28618 0.78618 0.14652 1.00000
  Er7 Er 0.64391 0.14390 0.57440 1.00000
  Er8 Er 0.58036 0.58040 0.32252 1.00000
  Er9 Er 0.48161 0.48172 0.93321 1.00000
  Er10 Er 0.51828 0.51839 0.06679 1.00000
  Er11 Er 0.13956 0.13920 0.55720 1.00000
  Er12 Er 0.85609 0.35610 0.42560 1.00000
  Er13 Er 0.91964 0.91960 0.67748 1.00000
  Er14 Er 0.36044 0.36080 0.44280 1.00000
  Er15 Er 0.01839 0.01828 0.06679 1.00000
  Er16 Er 0.86079 0.86045 0.44280 1.00000
  Er17 Er 0.63921 0.63955 0.55720 1.00000
  Er18 Er 0.79869 0.79867 0.19283 1.00000
  Er19 Er 0.14351 0.64350 0.57428 1.00000
  Er20 Er 0.41960 0.41964 0.67748 1.00000
  Er21 Er 0.71382 0.21382 0.85352 1.00000
  Er22 Er 0.29867 0.29869 0.19283 1.00000
  Er23 Er 0.35649 0.85650 0.42572 1.00000
  Er24 Er 0.78618 0.28618 0.14648 1.00000

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