Navigation

HEAS Data Platform · Materials Science Database

Dy9Er4Tm11

Alexandria ALEX

Alex-ID: agm005752343 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Dy9Er4Tm11
Alex-ID
agm005752343
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
738.90
ų
Cell a
3.6199
Å
Cell b
14.8895
Å
Cell c
14.8895
Å
α angle
112.97
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy9Er4Tm11
Dy
9.00 · 37.5%
Er
4.00 · 16.7%
Tm
11.00 · 45.8%

Energy & Stability

Energy above hull
0.0553
eV/atom
Formation energy
0.0482
eV/atom
Corrected total energy
-107.7151
eV
Raw total energy
-107.7151
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0055
eV
DOS at Fermi level
29.3603
Total magnetisation
0.0242
μB

Additional Information

Prototype ID

A4B9C11_1_spg65

Decomposition

Dy7Er2 ErTm5 Dy5Tm

Computed at

2023-07-10 21:17:50.503743

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: agm005752343).

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 agm005752343
data_agm005752343
_cell_length_a     3.61991
_cell_length_b     14.88952
_cell_length_c     14.88952
_cell_angle_alpha  112.96916
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       738.89879
_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 0.63123 0.16372 1.00000
  Dy2 Dy 0.50000 0.36877 0.83628 1.00000
  Dy3 Dy 0.50000 0.16372 0.63123 1.00000
  Dy4 Dy 0.50000 0.83628 0.36877 1.00000
  Dy5 Dy 0.50000 0.78599 0.93135 1.00000
  Dy6 Dy 0.50000 0.21401 0.06865 1.00000
  Dy7 Dy 0.50000 0.93135 0.78599 1.00000
  Dy8 Dy 0.50000 0.06865 0.21401 1.00000
  Dy9 Dy 0.50000 0.50000 0.50000 1.00000
  Er1 Er 0.50000 0.55401 0.75592 1.00000
  Er2 Er 0.50000 0.44599 0.24408 1.00000
  Er3 Er 0.50000 0.75592 0.55401 1.00000
  Er4 Er 0.50000 0.24408 0.44599 1.00000
  Tm1 Tm 0.00000 0.59327 0.95531 1.00000
  Tm2 Tm 0.00000 0.40673 0.04469 1.00000
  Tm3 Tm 0.00000 0.95531 0.59327 1.00000
  Tm4 Tm 0.00000 0.04469 0.40673 1.00000
  Tm5 Tm 0.00000 0.63303 0.36697 1.00000
  Tm6 Tm 0.00000 0.36697 0.63303 1.00000
  Tm7 Tm 0.00000 0.84029 0.15971 1.00000
  Tm8 Tm 0.00000 0.15971 0.84029 1.00000
  Tm9 Tm 0.00000 0.00000 0.00000 1.00000
  Tm10 Tm 0.00000 0.70832 0.70832 1.00000
  Tm11 Tm 0.00000 0.29168 0.29168 1.00000
Get direct link