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Dy(Co3P2)2

Alexandria ALEX

Alex-ID: agm002350367 · Space group: P-6m2 (#187)

Basic Information

Formula
Dy(Co3P2)2
Alex-ID
agm002350367
Elements
3
Sites
11
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
130.23
ų
Cell a
3.5262
Å
Cell b
6.5302
Å
Cell c
6.5302
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(Co3P2)2
P
4.00 · 36.4%
Co
6.00 · 54.5%
Dy
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0168
eV/atom
Formation energy
-0.7690
eV/atom
Corrected total energy
-77.4452
eV
Raw total energy
-77.4452
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0960
Total magnetisation
-0.0033
μB

Additional Information

Prototype ID

AB4C6_3_spg187

Decomposition

DyCo5P3 CoP

Computed at

2019-02-25 14:32:54

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: agm002350367).

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 agm002350367
data_agm002350367
_cell_length_a     3.52619
_cell_length_b     6.53023
_cell_length_c     6.53023
_cell_angle_alpha  119.99973
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       130.22507
_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 0.50000 0.19150 0.38300 1.00000
  P2 P 0.50000 0.61700 0.80850 1.00000
  P3 P 0.00000 0.66667 0.33334 1.00000
  P4 P 0.50000 0.19150 0.80850 1.00000
  Co1 Co 0.50000 0.79765 0.59530 1.00000
  Co2 Co 0.50000 0.79765 0.20235 1.00000
  Co3 Co 0.00000 0.46589 0.53410 1.00000
  Co4 Co 0.00000 0.06821 0.53411 1.00000
  Co5 Co 0.00000 0.46590 0.93180 1.00000
  Co6 Co 0.50000 0.40470 0.20235 1.00000
  Dy1 Dy 0.00000 1.00000 0.00000 1.00000
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