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DyY2HoBi4

Alexandria ALEX

Alex-ID: agm034621063 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
DyY2HoBi4
Alex-ID
agm034621063
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
253.78
ų
Cell a
7.7527
Å
Cell b
4.4763
Å
Cell c
7.7541
Å
α angle
90.00
°
β angle
109.43
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyY2HoBi4
Dy
1.00 · 12.5%
Y
2.00 · 25.0%
Ho
1.00 · 12.5%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0055
eV/atom
Formation energy
-0.8725
eV/atom
Corrected total energy
-44.6120
eV
Raw total energy
-44.6120
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
1.2375
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_47_spg10

Decomposition

DyY3Bi4 YHo3Bi4 Dy3YBi4

Computed at

2025-01-22 02:36:31

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: agm034621063).

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 agm034621063
data_agm034621063
_cell_length_a     7.75275
_cell_length_b     4.47635
_cell_length_c     7.75406
_cell_angle_alpha  90.00000
_cell_angle_beta   109.42595
_cell_angle_gamma  90.00000
_cell_volume       253.77787
_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 0.00000 0.50000 0.00000 1.00000
  Y1 Y 0.50000 0.00000 0.00000 1.00000
  Y2 Y 0.50000 0.50000 0.50000 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Bi1 Bi 0.75101 0.00000 0.74984 1.00000
  Bi2 Bi 0.24899 0.00000 0.25016 1.00000
  Bi3 Bi 0.75141 0.50000 0.25096 1.00000
  Bi4 Bi 0.24859 0.50000 0.74904 1.00000
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