Dy5(Ho3Mg)2

Alexandria ALEX

Alex-ID: agm005658740 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula

Dy5(Ho3Mg)2

Alex-ID

agm005658740

Elements

Sites

Space group

Pbam (#55)

Crystal system

orthorhombic

Volume

810.75

Å³

Cell a

3.5284

Cell b

10.2857

Cell c

22.3395

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy5(Ho3Mg)2

10.00 · 38.5%

12.00 · 46.2%

4.00 · 15.4%

Energy & Stability

Energy above hull

0.1741

eV/atom

Formation energy

0.1431

eV/atom

Corrected total energy

-103.6364

Raw total energy

-103.6364

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0097

DOS at Fermi level

47.4738

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A2B5C6_76_spg55

Decomposition

DyHoMg Dy5Ho Dy2Ho7

Computed at

2023-06-20 02:49:39.717359

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: agm005658740).

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 agm005658740
data_agm005658740
_cell_length_a     3.52844
_cell_length_b     10.28570
_cell_length_c     22.33946
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       810.75490
_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 0.33384 0.49373 1.00000
  Dy2 Dy 0.50000 0.66616 0.50627 1.00000
  Dy3 Dy 0.50000 0.83384 0.00627 1.00000
  Dy4 Dy 0.50000 0.16616 0.99373 1.00000
  Dy5 Dy 0.50000 0.57797 0.25150 1.00000
  Dy6 Dy 0.50000 0.42203 0.74850 1.00000
  Dy7 Dy 0.50000 0.07797 0.24850 1.00000
  Dy8 Dy 0.50000 0.92203 0.75150 1.00000
  Dy9 Dy 0.50000 0.50000 0.00000 1.00000
  Dy10 Dy 0.50000 0.00000 0.50000 1.00000
  Ho1 Ho 0.00000 0.14343 0.38165 1.00000
  Ho2 Ho 0.00000 0.85657 0.61835 1.00000
  Ho3 Ho 0.00000 0.64343 0.11835 1.00000
  Ho4 Ho 0.00000 0.35657 0.88165 1.00000
  Ho5 Ho 0.50000 0.33152 0.13396 1.00000
  Ho6 Ho 0.50000 0.66848 0.86604 1.00000
  Ho7 Ho 0.50000 0.83152 0.36604 1.00000
  Ho8 Ho 0.50000 0.16848 0.63396 1.00000
  Ho9 Ho 0.00000 0.52043 0.38733 1.00000
  Ho10 Ho 0.00000 0.47957 0.61267 1.00000
  Ho11 Ho 0.00000 0.02043 0.11267 1.00000
  Ho12 Ho 0.00000 0.97957 0.88733 1.00000
  Mg1 Mg 0.00000 0.32839 0.26064 1.00000
  Mg2 Mg 0.00000 0.67161 0.73936 1.00000
  Mg3 Mg 0.00000 0.82839 0.23936 1.00000
  Mg4 Mg 0.00000 0.17161 0.76064 1.00000

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