Dy9Ho4Er11

Alexandria ALEX

Alex-ID: agm005753410 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Dy9Ho4Er11

Alex-ID

agm005753410

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

745.22

Å³

Cell a

3.6299

Cell b

14.9306

Cell c

14.9306

α angle

112.93

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy9Ho4Er11

9.00 · 37.5%

4.00 · 16.7%

11.00 · 45.8%

Energy & Stability

Energy above hull

0.0542

eV/atom

Formation energy

0.0495

eV/atom

Corrected total energy

-108.7510

Raw total energy

-108.7510

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0047

DOS at Fermi level

29.4075

Total magnetisation

0.0004

μB

Additional Information

Prototype ID

A4B9C11_1_spg65

Decomposition

HoEr5 Dy5Ho

Computed at

2023-07-10 21:30:42.831815

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: agm005753410).

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 agm005753410
data_agm005753410
_cell_length_a     3.62988
_cell_length_b     14.93059
_cell_length_c     14.93059
_cell_angle_alpha  112.93467
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       745.21502
_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 0.50000 0.63168 0.16372 1.00000
  Dy2 Dy 0.50000 0.36832 0.83628 1.00000
  Dy3 Dy 0.50000 0.16372 0.63168 1.00000
  Dy4 Dy 0.50000 0.83628 0.36832 1.00000
  Dy5 Dy 0.50000 0.78611 0.93167 1.00000
  Dy6 Dy 0.50000 0.21389 0.06833 1.00000
  Dy7 Dy 0.50000 0.93167 0.78611 1.00000
  Dy8 Dy 0.50000 0.06833 0.21389 1.00000
  Dy9 Dy 0.50000 0.50000 0.50000 1.00000
  Ho1 Ho 0.50000 0.55398 0.75583 1.00000
  Ho2 Ho 0.50000 0.44602 0.24417 1.00000
  Ho3 Ho 0.50000 0.75583 0.55398 1.00000
  Ho4 Ho 0.50000 0.24417 0.44602 1.00000
  Er1 Er 0.00000 0.59310 0.95517 1.00000
  Er2 Er 0.00000 0.40690 0.04483 1.00000
  Er3 Er 0.00000 0.95517 0.59310 1.00000
  Er4 Er 0.00000 0.04483 0.40690 1.00000
  Er5 Er 0.00000 0.63307 0.36693 1.00000
  Er6 Er 0.00000 0.36693 0.63307 1.00000
  Er7 Er 0.00000 0.84024 0.15976 1.00000
  Er8 Er 0.00000 0.15976 0.84024 1.00000
  Er9 Er 0.00000 0.00000 0.00000 1.00000
  Er10 Er 0.00000 0.70842 0.70842 1.00000
  Er11 Er 0.00000 0.29158 0.29158 1.00000

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