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Dy2Y4Co23

Alexandria ALEX

Alex-ID: agm007913293 · Space group: Imm2 (#44)

Basic Information

Formula
Dy2Y4Co23
Alex-ID
agm007913293
Elements
3
Sites
29
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
411.24
ų
Cell a
8.3466
Å
Cell b
8.3466
Å
Cell c
8.3466
Å
α angle
119.99
°
β angle
119.99
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Y4Co23
Dy
2.00 · 6.9%
Y
4.00 · 13.8%
Co
23.00 · 79.3%

Energy & Stability

Energy above hull
0.0045
eV/atom
Formation energy
-0.1321
eV/atom
Corrected total energy
-202.7383
eV
Raw total energy
-202.7383
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
32.1027
Total magnetisation
29.9422
μB

Additional Information

Prototype ID

A2B4C23_1_spg44

Decomposition

Y2Co17 YCo3 DyCo3

Computed at

2024-06-29 10:33:09.159574

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: agm007913293).

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 agm007913293
data_agm007913293
_cell_length_a     8.34663
_cell_length_b     8.34663
_cell_length_c     8.34663
_cell_angle_alpha  119.98813
_cell_angle_beta   119.98859
_cell_angle_gamma  90.02016
_cell_volume       411.24000
_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 0.71343 0.28669 0.00012 1.00000
  Dy2 Dy 0.71343 0.71331 0.42673 1.00000
  Y1 Y 0.71253 0.71242 0.00011 1.00000
  Y2 Y 0.28745 0.71266 0.00011 1.00000
  Y3 Y 0.28745 0.28734 0.57479 1.00000
  Y4 Y 0.28769 0.28758 0.00011 1.00000
  Co1 Co 0.03304 0.67766 0.35538 1.00000
  Co2 Co 0.32235 0.67782 0.64453 1.00000
  Co3 Co 0.32237 0.67769 0.35553 1.00000
  Co4 Co 0.32237 0.96684 0.64468 1.00000
  Co5 Co 0.96671 0.32218 0.64453 1.00000
  Co6 Co 0.67772 0.32234 0.35538 1.00000
  Co7 Co 0.67784 0.32231 0.64468 1.00000
  Co8 Co 0.67784 0.03316 0.35553 1.00000
  Co9 Co 0.00011 0.00000 0.00011 1.00000
  Co10 Co 0.62903 0.87671 0.75232 1.00000
  Co11 Co 0.12384 0.87625 0.24759 1.00000
  Co12 Co 0.12301 0.87588 0.75185 1.00000
  Co13 Co 0.12301 0.37116 0.24712 1.00000
  Co14 Co 0.37134 0.12375 0.24759 1.00000
  Co15 Co 0.87560 0.12329 0.75232 1.00000
  Co16 Co 0.87596 0.12412 0.24712 1.00000
  Co17 Co 0.87596 0.62884 0.75185 1.00000
  Co18 Co 0.50010 0.50015 0.50001 1.00000
  Co19 Co 0.50010 0.00009 0.99995 1.00000
  Co20 Co 0.50025 0.00000 0.50025 1.00000
  Co21 Co 0.99986 0.99991 0.50001 1.00000
  Co22 Co 0.99986 0.49985 0.99995 1.00000
  Co23 Co 0.99978 0.50000 0.49978 1.00000
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