Navigation

HEAS Data Platform · Materials Science Database

Dy2YErTm5

Alexandria ALEX

Alex-ID: agm005154283 · Space group: I4/mcm (#140)

Alexandria Database API

Basic Information

Formula
Dy2YErTm5
Alex-ID
agm005154283
Elements
4
Sites
18
Space group
I4/mcm (#140)
Crystal system
tetragonal
Volume
563.87
ų
Cell a
8.7949
Å
Cell b
8.7949
Å
Cell c
9.5821
Å
α angle
117.32
°
β angle
117.32
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2YErTm5
Dy
4.00 · 22.2%
Y
2.00 · 11.1%
Er
2.00 · 11.1%
Tm
10.00 · 55.6%

Energy & Stability

Energy above hull
0.3083
eV/atom
Formation energy
0.3001
eV/atom
Corrected total energy
-79.7809
eV
Raw total energy
-79.7809
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.3004
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_275_spg140

Decomposition

Dy5Tm ErTm5 Y5Tm Y5Er

Computed at

2023-01-19 18:16:44.365364

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: agm005154283).

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 agm005154283
data_agm005154283
_cell_length_a     8.79491
_cell_length_b     8.79491
_cell_length_c     9.58206
_cell_angle_alpha  117.31783
_cell_angle_beta   117.31783
_cell_angle_gamma  90.00000
_cell_volume       563.86689
_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 0.11335 0.38665 0.00000 1.00000
  Dy2 Dy 0.61335 0.11335 0.00000 1.00000
  Dy3 Dy 0.38665 0.88665 0.00000 1.00000
  Dy4 Dy 0.88665 0.61335 0.00000 1.00000
  Y1 Y 0.25000 0.25000 0.50000 1.00000
  Y2 Y 0.75000 0.75000 0.50000 1.00000
  Er1 Er 0.25000 0.75000 0.50000 1.00000
  Er2 Er 0.75000 0.25000 0.50000 1.00000
  Tm1 Tm 0.92761 0.42761 0.26646 1.00000
  Tm2 Tm 0.66115 0.16115 0.73354 1.00000
  Tm3 Tm 0.07239 0.57239 0.73354 1.00000
  Tm4 Tm 0.16115 0.07239 0.73354 1.00000
  Tm5 Tm 0.57239 0.66115 0.73354 1.00000
  Tm6 Tm 0.83885 0.92761 0.26646 1.00000
  Tm7 Tm 0.42761 0.33885 0.26646 1.00000
  Tm8 Tm 0.33885 0.83885 0.26646 1.00000
  Tm9 Tm 0.50000 0.50000 0.00000 1.00000
  Tm10 Tm 0.00000 0.00000 0.00000 1.00000
Get direct link