Navigation

HEAS Data Platform · Materials Science Database

Dy3Tm9(MnSb2)2

Alexandria ALEX

Alex-ID: agm016533656 · Space group: Pm (#6)

Basic Information

Formula
Dy3Tm9(MnSb2)2
Alex-ID
agm016533656
Elements
4
Sites
18
Space group
Pm (#6)
Crystal system
monoclinic
Volume
478.05
ų
Cell a
8.0889
Å
Cell b
4.2160
Å
Cell c
14.0179
Å
α angle
90.00
°
β angle
90.03
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Tm9(MnSb2)2
Dy
3.00 · 16.7%
Tm
9.00 · 50.0%
Mn
2.00 · 11.1%
Sb
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5496
eV/atom
Corrected total energy
-98.7659
eV
Raw total energy
-98.7659
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
9.7168
Total magnetisation
-0.1829
μB

Additional Information

Prototype ID

A2B3C4D9_2_spg6

Decomposition

Tm2Mn17 Dy5Sb3 Tm6MnSb2 Tm

Computed at

2024-12-08 15:48:28

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: agm016533656).

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 agm016533656
data_agm016533656
_cell_length_a     8.08888
_cell_length_b     4.21598
_cell_length_c     14.01790
_cell_angle_alpha  90.00000
_cell_angle_beta   90.02531
_cell_angle_gamma  90.00000
_cell_volume       478.04677
_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 0.89699 0.00000 0.49949 1.00000
  Dy2 Dy 0.39660 0.00000 0.00015 1.00000
  Dy3 Dy 0.80198 0.00000 0.80148 1.00000
  Tm1 Tm 0.30364 0.00000 0.30273 1.00000
  Tm2 Tm 0.30278 0.00000 0.69683 1.00000
  Tm3 Tm 0.80358 0.00000 0.19748 1.00000
  Tm4 Tm 0.76387 0.50000 0.00051 1.00000
  Tm5 Tm 0.26412 0.50000 0.49958 1.00000
  Tm6 Tm 0.61718 0.50000 0.61709 1.00000
  Tm7 Tm 0.11787 0.50000 0.11821 1.00000
  Tm8 Tm 0.11694 0.50000 0.88315 1.00000
  Tm9 Tm 0.61743 0.50000 0.38240 1.00000
  Mn1 Mn 0.99785 0.00000 0.00174 1.00000
  Mn2 Mn 0.49708 0.00000 0.49991 1.00000
  Sb1 Sb 0.00166 0.50000 0.66675 1.00000
  Sb2 Sb 0.50106 0.50000 0.16768 1.00000
  Sb3 Sb 0.49876 0.50000 0.83235 1.00000
  Sb4 Sb 0.00084 0.50000 0.33249 1.00000
Get direct link