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Ac7(DyY)2

Alexandria ALEX

Alex-ID: agm005570015 · Space group: P2/m (#10)

Basic Information

Formula
Ac7(DyY)2
Alex-ID
agm005570015
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
460.19
ų
Cell a
6.0918
Å
Cell b
10.3126
Å
Cell c
9.5468
Å
α angle
86.81
°
β angle
129.71
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac7(DyY)2
Ac
7.00 · 63.6%
Dy
2.00 · 18.2%
Y
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1961
eV/atom
Formation energy
0.1949
eV/atom
Corrected total energy
-48.7482
eV
Raw total energy
-48.7482
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.8724
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_433_spg47

Decomposition

Dy5Y DyY5 Ac

Computed at

2023-06-05 05:25:07.561806

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: agm005570015).

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 agm005570015
data_agm005570015
_cell_length_a     6.09177
_cell_length_b     10.31261
_cell_length_c     9.54676
_cell_angle_alpha  86.81285
_cell_angle_beta   129.70810
_cell_angle_gamma  90.00971
_cell_volume       460.18910
_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 0.50361 0.30441 0.00264 1.00000
  Ac2 Ac 0.01148 0.65963 0.51140 1.00000
  Ac3 Ac 0.49639 0.69559 0.99736 1.00000
  Ac4 Ac 0.98852 0.34037 0.48860 1.00000
  Ac5 Ac 0.47230 0.17163 0.47239 1.00000
  Ac6 Ac 0.00000 0.00000 0.00000 1.00000
  Ac7 Ac 0.52770 0.82837 0.52761 1.00000
  Dy1 Dy 0.73789 0.48259 0.73736 1.00000
  Dy2 Dy 0.26211 0.51741 0.26264 1.00000
  Y1 Y 0.22198 0.00626 0.72197 1.00000
  Y2 Y 0.77802 0.99374 0.27803 1.00000
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