Navigation

HEAS Data Platform · Materials Science Database

DyTm14Hf

Alexandria ALEX

Alex-ID: agm005803563 · Space group: Amm2 (#38)

Basic Information

Formula
DyTm14Hf
Alex-ID
agm005803563
Elements
3
Sites
16
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
476.01
ų
Cell a
7.0818
Å
Cell b
7.0818
Å
Cell c
10.9555
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyTm14Hf
Dy
1.00 · 6.3%
Tm
14.00 · 87.5%
Hf
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0251
eV/atom
Formation energy
0.0197
eV/atom
Corrected total energy
-76.8438
eV
Raw total energy
-76.8438
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.9173
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC14_2_spg38

Decomposition

DyTm15 DyTm5 Hf

Computed at

2023-07-18 18:14:50.609502

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: agm005803563).

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 agm005803563
data_agm005803563
_cell_length_a     7.08180
_cell_length_b     7.08180
_cell_length_c     10.95548
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.96230
_cell_volume       476.00829
_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 0.33263 0.66737 0.00000 1.00000
  Tm1 Tm 0.33376 0.66624 0.50000 1.00000
  Tm2 Tm 0.83339 0.16661 0.50000 1.00000
  Tm3 Tm 0.83534 0.66807 0.00000 1.00000
  Tm4 Tm 0.83278 0.66636 0.50000 1.00000
  Tm5 Tm 0.33193 0.16466 0.00000 1.00000
  Tm6 Tm 0.33364 0.16722 0.50000 1.00000
  Tm7 Tm 0.66965 0.83913 0.75563 1.00000
  Tm8 Tm 0.66965 0.83913 0.24437 1.00000
  Tm9 Tm 0.16087 0.33035 0.75563 1.00000
  Tm10 Tm 0.16087 0.33035 0.24437 1.00000
  Tm11 Tm 0.16656 0.83344 0.74684 1.00000
  Tm12 Tm 0.16656 0.83344 0.25316 1.00000
  Tm13 Tm 0.66938 0.33062 0.75647 1.00000
  Tm14 Tm 0.66938 0.33062 0.24353 1.00000
  Hf1 Hf 0.83361 0.16639 0.00000 1.00000
Get direct link