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Dy10Co4Bi2H

Alexandria ALEX

Alex-ID: agm073028131 · Space group: I-42m (#121)

Basic Information

Formula
Dy10Co4Bi2H
Alex-ID
agm073028131
Elements
4
Sites
17
Space group
I-42m (#121)
Crystal system
tetragonal
Volume
400.24
ų
Cell a
8.8377
Å
Cell b
8.8377
Å
Cell c
8.8377
Å
α angle
129.54
°
β angle
129.54
°
γ angle
74.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy10Co4Bi2H
Dy
10.00 · 58.8%
Co
4.00 · 23.5%
Bi
2.00 · 11.8%
H
1.00 · 5.9%

Energy & Stability

Energy above hull
0.0303
eV/atom
Formation energy
-0.3937
eV/atom
Corrected total energy
-92.2272
eV
Raw total energy
-92.2272
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.3040
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4D10_65_spg121

Decomposition

Dy3CoBi Dy2Co3 Dy12Co6Bi DyH2

Computed at

2024-10-29 00:47:08

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: agm073028131).

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 agm073028131
data_agm073028131
_cell_length_a     8.83766
_cell_length_b     8.83766
_cell_length_c     8.83766
_cell_angle_alpha  129.54195
_cell_angle_beta   129.54195
_cell_angle_gamma  74.14010
_cell_volume       400.24259
_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 0.53733 0.53733 0.31185 1.00000
  Dy2 Dy 0.46267 0.77452 0.00000 1.00000
  Dy3 Dy 0.22548 0.22548 0.68815 1.00000
  Dy4 Dy 0.77452 0.46267 0.00000 1.00000
  Dy5 Dy 0.28180 0.28180 0.31469 1.00000
  Dy6 Dy 0.71820 0.03289 0.00000 1.00000
  Dy7 Dy 0.96711 0.96711 0.68531 1.00000
  Dy8 Dy 0.03289 0.71820 0.00000 1.00000
  Dy9 Dy 0.75000 0.25000 0.50000 1.00000
  Dy10 Dy 0.25000 0.75000 0.50000 1.00000
  Co1 Co 0.88671 0.88671 0.27537 1.00000
  Co2 Co 0.11329 0.38867 0.00000 1.00000
  Co3 Co 0.61133 0.61133 0.72463 1.00000
  Co4 Co 0.38867 0.11329 0.00000 1.00000
  Bi1 Bi 0.50000 0.00000 0.50000 1.00000
  Bi2 Bi 0.00000 0.50000 0.50000 1.00000
  H1 H 0.50000 0.50000 0.00000 1.00000
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