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Dy2YHoMg

Alexandria ALEX

Alex-ID: agm005014505 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Dy2YHoMg
Alex-ID
agm005014505
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
300.33
ų
Cell a
5.5487
Å
Cell b
6.1106
Å
Cell c
9.4124
Å
α angle
70.24
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2YHoMg
Dy
4.00 · 40.0%
Y
2.00 · 20.0%
Ho
2.00 · 20.0%
Mg
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0619
eV/atom
Formation energy
0.0130
eV/atom
Corrected total energy
-43.5575
eV
Raw total energy
-43.5575
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0049
eV
DOS at Fermi level
13.5148
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

ABCD2_1555_spg11

Decomposition

Dy5Ho DyYMg YHoMg

Computed at

2022-07-04 14:43:06.971089

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: agm005014505).

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 agm005014505
data_agm005014505
_cell_length_a     5.54866
_cell_length_b     6.11055
_cell_length_c     9.41244
_cell_angle_alpha  70.23676
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       300.33489
_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 0.75000 0.75016 0.79909 1.00000
  Dy2 Dy 0.25000 0.24984 0.20091 1.00000
  Dy3 Dy 0.25000 0.02090 0.60239 1.00000
  Dy4 Dy 0.75000 0.97910 0.39761 1.00000
  Y1 Y 0.75000 0.35463 0.60857 1.00000
  Y2 Y 0.25000 0.64537 0.39143 1.00000
  Ho1 Ho 0.25000 0.83126 0.00127 1.00000
  Ho2 Ho 0.75000 0.16874 0.99873 1.00000
  Mg1 Mg 0.75000 0.57631 0.19945 1.00000
  Mg2 Mg 0.25000 0.42369 0.80055 1.00000
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