Navigation

HEAS Data Platform · Materials Science Database

Dy5HoP6

Alexandria ALEX

Alex-ID: agm006129240 · Space group: C2/m (#12)

Basic Information

Formula
Dy5HoP6
Alex-ID
agm006129240
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
272.37
ų
Cell a
6.9344
Å
Cell b
6.9364
Å
Cell c
6.9354
Å
α angle
60.00
°
β angle
80.41
°
γ angle
70.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5HoP6
P
6.00 · 50.0%
Ho
1.00 · 8.3%
Dy
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0016
eV/atom
Formation energy
-1.6151
eV/atom
Corrected total energy
-79.4375
eV
Raw total energy
-79.4375
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0860
eV
DOS at Fermi level
1.0897
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_83_spg12

Decomposition

Dy3HoP4 DyP

Computed at

2023-09-03 12:35:59.110144

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: agm006129240).

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 agm006129240
data_agm006129240
_cell_length_a     6.93441
_cell_length_b     6.93642
_cell_length_c     6.93540
_cell_angle_alpha  59.99514
_cell_angle_beta   80.40689
_cell_angle_gamma  70.53375
_cell_volume       272.37191
_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
  P1 P 0.75044 0.08322 0.33267 1.00000
  P2 P 0.24956 0.58410 0.33267 1.00000
  P3 P 0.24964 0.24952 1.00000 1.00000
  P4 P 0.75036 0.75048 0.00000 1.00000
  P5 P 0.75044 0.41590 0.66733 1.00000
  P6 P 0.24956 0.91678 0.66733 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.50000 0.16679 0.66643 1.00000
  Dy2 Dy 0.00000 0.33333 0.33333 1.00000
  Dy3 Dy 0.50000 0.50000 0.00000 1.00000
  Dy4 Dy 1.00000 0.66667 0.66667 1.00000
  Dy5 Dy 0.50000 0.83321 0.33357 1.00000
Get direct link