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Sr3La2Dy

Alexandria ALEX

Alex-ID: agm014093461 · Space group: C2/m (#12)

Basic Information

Formula
Sr3La2Dy
Alex-ID
agm014093461
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
521.75
ų
Cell a
10.5429
Å
Cell b
10.5429
Å
Cell c
13.6779
Å
α angle
70.20
°
β angle
109.80
°
γ angle
158.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3La2Dy
Sr
6.00 · 50.0%
La
4.00 · 33.3%
Dy
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1028
eV/atom
Formation energy
0.1012
eV/atom
Corrected total energy
-37.8398
eV
Raw total energy
-37.8398
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0069
eV
DOS at Fermi level
18.2950
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_4554_spg2

Decomposition

La5Dy LaDy4 Sr

Computed at

2025-04-14 09:35:46

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: agm014093461).

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 agm014093461
data_agm014093461
_cell_length_a     10.54290
_cell_length_b     10.54290
_cell_length_c     13.67785
_cell_angle_alpha  70.19792
_cell_angle_beta   109.80208
_cell_angle_gamma  158.55553
_cell_volume       521.74801
_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 0.24092 0.75908 0.85567 1.00000
  Sr2 Sr 0.07990 0.92010 0.94272 1.00000
  Sr3 Sr 0.40496 0.59504 0.76850 1.00000
  Sr4 Sr 0.75908 0.24092 0.14433 1.00000
  Sr5 Sr 0.59504 0.40496 0.23150 1.00000
  Sr6 Sr 0.92010 0.07990 0.05728 1.00000
  La1 La 0.26735 0.73265 0.40282 1.00000
  La2 La 0.73265 0.26735 0.59718 1.00000
  La3 La 0.92357 0.07643 0.53352 1.00000
  La4 La 0.07643 0.92357 0.46648 1.00000
  Dy1 Dy 0.42497 0.57503 0.31876 1.00000
  Dy2 Dy 0.57503 0.42497 0.68124 1.00000
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