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Sr7Dy3

Alexandria ALEX

Alex-ID: agm007826596 · Space group: Immm (#71)

Basic Information

Formula
Sr7Dy3
Alex-ID
agm007826596
Elements
2
Sites
10
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
452.55
ų
Cell a
10.6360
Å
Cell b
10.6360
Å
Cell c
10.6360
Å
α angle
146.25
°
β angle
137.01
°
γ angle
55.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr7Dy3
Sr
7.00 · 70.0%
Dy
3.00 · 30.0%

Energy & Stability

Energy above hull
0.2772
eV/atom
Formation energy
0.2772
eV/atom
Corrected total energy
-22.8657
eV
Raw total energy
-22.8657
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
17.5880
Total magnetisation
1.0914
μB

Additional Information

Prototype ID

A3B7_0_spg12

Decomposition

Dy Sr

Computed at

2024-06-01 19:59:29.678242

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: agm007826596).

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 agm007826596
data_agm007826596
_cell_length_a     10.63600
_cell_length_b     10.63600
_cell_length_c     10.63600
_cell_angle_alpha  146.24642
_cell_angle_beta   137.01374
_cell_angle_gamma  55.73979
_cell_volume       452.54866
_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
  Sr1 Sr 0.50000 0.50000 0.00000 1.00000
  Sr2 Sr 0.80122 0.30122 0.50000 1.00000
  Sr3 Sr 0.19878 0.69878 0.50000 1.00000
  Sr4 Sr 0.86271 0.11003 0.75267 1.00000
  Sr5 Sr 0.13729 0.88997 0.24733 1.00000
  Sr6 Sr 0.35736 0.11003 0.24733 1.00000
  Sr7 Sr 0.64264 0.88997 0.75267 1.00000
  Dy1 Dy 0.00000 0.50000 0.50000 1.00000
  Dy2 Dy 0.30197 0.30197 0.00000 1.00000
  Dy3 Dy 0.69803 0.69803 0.00000 1.00000
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