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Dy5Tm5Bi6

Alexandria ALEX

Alex-ID: agm016973873 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Dy5Tm5Bi6
Alex-ID
agm016973873
Elements
3
Sites
16
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
456.52
ų
Cell a
9.1267
Å
Cell b
6.3438
Å
Cell c
9.1087
Å
α angle
90.00
°
β angle
120.04
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Tm5Bi6
Dy
5.00 · 31.3%
Tm
5.00 · 31.3%
Bi
6.00 · 37.5%

Energy & Stability

Energy above hull
0.0046
eV/atom
Formation energy
-0.6508
eV/atom
Corrected total energy
-79.0748
eV
Raw total energy
-79.0748
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0015
eV
DOS at Fermi level
15.4568
Total magnetisation
-0.0023
μB

Additional Information

Prototype ID

A5B5C6_7_spg38

Decomposition

Tm5Bi3 Dy5Bi3

Computed at

2025-03-11 03:49:32

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: agm016973873).

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 agm016973873
data_agm016973873
_cell_length_a     9.12666
_cell_length_b     6.34385
_cell_length_c     9.10871
_cell_angle_alpha  90.00000
_cell_angle_beta   120.04408
_cell_angle_gamma  90.00000
_cell_volume       456.51917
_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 0.24343 0.00000 0.24299 1.00000
  Dy2 Dy 0.00044 0.00000 0.75707 1.00000
  Dy3 Dy 0.24516 0.50000 0.99995 1.00000
  Dy4 Dy 0.75675 0.50000 0.75725 1.00000
  Dy5 Dy 0.99944 0.50000 0.24251 1.00000
  Tm1 Tm 0.66679 0.25008 0.33434 1.00000
  Tm2 Tm 0.33236 0.25008 0.66565 1.00000
  Tm3 Tm 0.33236 0.74992 0.66565 1.00000
  Tm4 Tm 0.66679 0.74992 0.33434 1.00000
  Tm5 Tm 0.75691 0.00000 0.00002 1.00000
  Bi1 Bi 0.39253 0.00000 0.00005 1.00000
  Bi2 Bi 0.60950 0.00000 0.61105 1.00000
  Bi3 Bi 0.99849 0.00000 0.38896 1.00000
  Bi4 Bi 0.60902 0.50000 0.99994 1.00000
  Bi5 Bi 0.39052 0.50000 0.39058 1.00000
  Bi6 Bi 0.99989 0.50000 0.60928 1.00000
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