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Ac6PmDy2

Alexandria ALEX

Alex-ID: agm005656880 · Space group: C2/c (#15)

Basic Information

Formula
Ac6PmDy2
Alex-ID
agm005656880
Elements
3
Sites
18
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
748.73
ų
Cell a
7.7627
Å
Cell b
9.9206
Å
Cell c
9.9206
Å
α angle
78.53
°
β angle
89.83
°
γ angle
89.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac6PmDy2
Ac
12.00 · 66.7%
Pm
2.00 · 11.1%
Dy
4.00 · 22.2%

Energy & Stability

Energy above hull
0.1659
eV/atom
Formation energy
0.1641
eV/atom
Corrected total energy
-74.2641
eV
Raw total energy
-74.2641
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
30.8576
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_2367_spg15

Decomposition

Pm2Dy7 Pm3Dy5 Ac

Computed at

2023-07-09 07:37:19.930726

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: agm005656880).

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 agm005656880
data_agm005656880
_cell_length_a     7.76274
_cell_length_b     9.92061
_cell_length_c     9.92061
_cell_angle_alpha  78.52670
_cell_angle_beta   89.83109
_cell_angle_gamma  89.83109
_cell_volume       748.72572
_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 0.62935 0.59793 0.60671 1.00000
  Ac2 Ac 0.87065 0.39329 0.40207 1.00000
  Ac3 Ac 0.37065 0.40207 0.39329 1.00000
  Ac4 Ac 0.12935 0.60671 0.59793 1.00000
  Ac5 Ac 0.87582 0.89876 0.39245 1.00000
  Ac6 Ac 0.62418 0.60755 0.10124 1.00000
  Ac7 Ac 0.12418 0.10124 0.60755 1.00000
  Ac8 Ac 0.37582 0.39245 0.89876 1.00000
  Ac9 Ac 0.11307 0.65506 0.11231 1.00000
  Ac10 Ac 0.38693 0.88769 0.34494 1.00000
  Ac11 Ac 0.88693 0.34494 0.88769 1.00000
  Ac12 Ac 0.61307 0.11231 0.65506 1.00000
  Pm1 Pm 0.25000 0.03083 0.96917 1.00000
  Pm2 Pm 0.75000 0.96917 0.03083 1.00000
  Dy1 Dy 0.39230 0.79432 0.80404 1.00000
  Dy2 Dy 0.10770 0.19596 0.20568 1.00000
  Dy3 Dy 0.60770 0.20568 0.19596 1.00000
  Dy4 Dy 0.89230 0.80404 0.79432 1.00000
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