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Dy9Lu2Ru

Alexandria ALEX

Alex-ID: agm101401412 · Space group: Amm2 (#38)

Basic Information

Formula
Dy9Lu2Ru
Alex-ID
agm101401412
Elements
3
Sites
12
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
358.60
ų
Cell a
3.5947
Å
Cell b
10.8293
Å
Cell c
10.8307
Å
α angle
121.73
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy9Lu2Ru
Dy
9.00 · 75.0%
Lu
2.00 · 16.7%
Ru
1.00 · 8.3%

Energy & Stability

Energy above hull
0.1033
eV/atom
Formation energy
-0.0209
eV/atom
Corrected total energy
-60.0018
eV
Raw total energy
-60.0018
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.9605
Total magnetisation
0.0015
μB

Additional Information

Prototype ID

AB2C9_102_spg65

Decomposition

DyLu2Ru Dy

Computed at

2025-05-21 05:34:42

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: agm101401412).

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 agm101401412
data_agm101401412
_cell_length_a     3.59474
_cell_length_b     10.82925
_cell_length_c     10.83067
_cell_angle_alpha  121.73011
_cell_angle_beta   89.99953
_cell_angle_gamma  90.00021
_cell_volume       358.60279
_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
  Dy1 Dy 0.79141 0.90206 0.09805 1.00000
  Dy2 Dy 0.79207 0.53278 0.03750 1.00000
  Dy3 Dy 0.79185 0.49489 0.50518 1.00000
  Dy4 Dy 0.79142 0.26832 0.13677 1.00000
  Dy5 Dy 0.29168 0.17410 0.82598 1.00000
  Dy6 Dy 0.29167 0.18365 0.36599 1.00000
  Dy7 Dy 0.29176 0.63415 0.81638 1.00000
  Dy8 Dy 0.79174 0.96231 0.46715 1.00000
  Dy9 Dy 0.79154 0.86331 0.73171 1.00000
  Lu1 Lu 0.29182 0.64189 0.35786 1.00000
  Lu2 Lu 0.79174 0.32205 0.67789 1.00000
  Ru1 Ru 0.29130 0.02049 0.97955 1.00000
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