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Dy2Tm6Mg

Alexandria ALEX

Alex-ID: agm003482102 · Space group: P4_2/mnm (#136)

Basic Information

Formula
Dy2Tm6Mg
Alex-ID
agm003482102
Elements
3
Sites
18
Space group
P4_2/mnm (#136)
Crystal system
tetragonal
Volume
534.29
ų
Cell a
4.9612
Å
Cell b
10.3775
Å
Cell c
10.3775
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Tm6Mg
Dy
4.00 · 22.2%
Tm
12.00 · 66.7%
Mg
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0562
eV/atom
Formation energy
0.0300
eV/atom
Corrected total energy
-74.7219
eV
Raw total energy
-74.7219
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
25.3922
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_659_spg136

Decomposition

DyTmMg DyTm5

Computed at

2022-02-28 14:40:35.188672

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: agm003482102).

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 agm003482102
data_agm003482102
_cell_length_a     4.96123
_cell_length_b     10.37749
_cell_length_c     10.37751
_cell_angle_alpha  90.00006
_cell_angle_beta   89.99625
_cell_angle_gamma  90.00000
_cell_volume       534.28692
_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 0.00006 0.33381 0.83380 1.00000
  Dy2 Dy 0.49994 0.83379 0.66620 1.00000
  Dy3 Dy 0.50006 0.16621 0.33380 1.00000
  Dy4 Dy 0.99994 0.66619 0.16620 1.00000
  Tm1 Tm 0.99998 0.99984 0.16573 1.00000
  Tm2 Tm 0.99992 0.66573 0.49982 1.00000
  Tm3 Tm 0.99990 0.66763 0.83233 1.00000
  Tm4 Tm 0.50010 0.16765 0.66767 1.00000
  Tm5 Tm 0.50008 0.16574 0.00019 1.00000
  Tm6 Tm 0.50002 0.49983 0.33427 1.00000
  Tm7 Tm 0.00002 0.00016 0.83427 1.00000
  Tm8 Tm 0.00008 0.33427 0.50018 1.00000
  Tm9 Tm 0.00010 0.33237 0.16767 1.00000
  Tm10 Tm 0.49990 0.83235 0.33233 1.00000
  Tm11 Tm 0.49992 0.83426 0.99981 1.00000
  Tm12 Tm 0.49998 0.50017 0.66573 1.00000
  Mg1 Mg 0.50000 0.50000 0.00000 1.00000
  Mg2 Mg 0.00000 0.00000 0.50000 1.00000
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