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Ac6DyNi8

Alexandria ALEX

Alex-ID: agm072854549 · Space group: P-1 (#2)

Basic Information

Formula
Ac6DyNi8
Alex-ID
agm072854549
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
392.08
ų
Cell a
5.8321
Å
Cell b
7.1947
Å
Cell c
9.8342
Å
α angle
106.79
°
β angle
96.46
°
γ angle
90.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac6DyNi8
Ac
6.00 · 40.0%
Dy
1.00 · 6.7%
Ni
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1227
eV/atom
Formation energy
-0.1834
eV/atom
Corrected total energy
-78.2763
eV
Raw total energy
-78.2763
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.9179
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_948_spg2

Decomposition

Dy15Ni32 DyNi AcNi

Computed at

2024-10-06 22:52:24.682128

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: agm072854549).

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 agm072854549
data_agm072854549
_cell_length_a     5.83207
_cell_length_b     7.19469
_cell_length_c     9.83422
_cell_angle_alpha  106.79461
_cell_angle_beta   96.45570
_cell_angle_gamma  90.78237
_cell_volume       392.07574
_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
  Ac1 Ac 0.85258 0.72154 0.42925 1.00000
  Ac2 Ac 0.72571 0.40294 0.86995 1.00000
  Ac3 Ac 0.44609 0.85026 0.74107 1.00000
  Ac4 Ac 0.14742 0.27846 0.57075 1.00000
  Ac5 Ac 0.27429 0.59706 0.13005 1.00000
  Ac6 Ac 0.55391 0.14974 0.25893 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Ni1 Ni 0.93928 0.01848 0.72993 1.00000
  Ni2 Ni 0.06072 0.98152 0.27007 1.00000
  Ni3 Ni 0.24741 0.23463 0.89085 1.00000
  Ni4 Ni 0.36226 0.55833 0.42861 1.00000
  Ni5 Ni 0.64521 0.11189 0.57340 1.00000
  Ni6 Ni 0.75259 0.76537 0.10915 1.00000
  Ni7 Ni 0.63774 0.44167 0.57139 1.00000
  Ni8 Ni 0.35479 0.88811 0.42660 1.00000
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