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La3(DyY)2

Alexandria ALEX

Alex-ID: agm010010707 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La3(DyY)2
Alex-ID
agm010010707
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
238.15
ų
Cell a
6.3128
Å
Cell b
6.3128
Å
Cell c
10.8378
Å
α angle
84.50
°
β angle
95.50
°
γ angle
146.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3(DyY)2
La
3.00 · 42.9%
Dy
2.00 · 28.6%
Y
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0335
eV/atom
Formation energy
0.0253
eV/atom
Corrected total energy
-36.7388
eV
Raw total energy
-36.7388
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.8682
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_243_spg12

Decomposition

La5Dy LaDy4 LaY2

Computed at

2025-05-30 20:44:10

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: agm010010707).

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 agm010010707
data_agm010010707
_cell_length_a     6.31283
_cell_length_b     6.31283
_cell_length_c     10.83779
_cell_angle_alpha  84.49996
_cell_angle_beta   95.50004
_cell_angle_gamma  146.34578
_cell_volume       238.15010
_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
  La1 La 0.00000 0.00000 0.50000 1.00000
  La2 La 0.14367 0.85633 0.07251 1.00000
  La3 La 0.85633 0.14367 0.92749 1.00000
  Dy1 Dy 0.71429 0.28571 0.36146 1.00000
  Dy2 Dy 0.28571 0.71429 0.63854 1.00000
  Y1 Y 0.42558 0.57442 0.21723 1.00000
  Y2 Y 0.57442 0.42558 0.78277 1.00000
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