Navigation

HEAS Data Platform · Materials Science Database

Dy7TmIn4

Alexandria ALEX

Alex-ID: agm003669166 · Space group: C2/m (#12)

Basic Information

Formula
Dy7TmIn4
Alex-ID
agm003669166
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
353.93
ų
Cell a
5.6701
Å
Cell b
9.1781
Å
Cell c
7.8061
Å
α angle
74.09
°
β angle
68.70
°
γ angle
72.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7TmIn4
Dy
7.00 · 58.3%
Tm
1.00 · 8.3%
In
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2686
eV/atom
Formation energy
-0.0769
eV/atom
Corrected total energy
-48.6992
eV
Raw total energy
-48.6992
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0126
eV
DOS at Fermi level
13.5869
Total magnetisation
0.0006
μB

Additional Information

Prototype ID

AB4C7_117_spg12

Decomposition

DyTm3In2 Dy2In

Computed at

2022-04-20 08:34:05.413253

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: agm003669166).

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 agm003669166
data_agm003669166
_cell_length_a     5.67005
_cell_length_b     9.17807
_cell_length_c     7.80612
_cell_angle_alpha  74.09266
_cell_angle_beta   68.70440
_cell_angle_gamma  72.00757
_cell_volume       353.92538
_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 0.79092 0.87905 0.53911 1.00000
  Dy2 Dy 0.20908 0.12095 0.46089 1.00000
  Dy3 Dy 0.06488 0.60149 0.26876 1.00000
  Dy4 Dy 0.93512 0.39851 0.73124 1.00000
  Dy5 Dy 0.27265 0.67139 0.78332 1.00000
  Dy6 Dy 0.50000 0.00000 0.00000 1.00000
  Dy7 Dy 0.72735 0.32861 0.21668 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  In1 In 0.55774 0.25142 0.63309 1.00000
  In2 In 0.44226 0.74858 0.36691 1.00000
  In3 In 0.68103 0.66415 0.97379 1.00000
  In4 In 0.31897 0.33585 0.02621 1.00000
Get direct link