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Dy2Mg3Pt2

Alexandria ALEX

Alex-ID: agm008936554 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Mg3Pt2
Alex-ID
agm008936554
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
151.96
ų
Cell a
5.4942
Å
Cell b
5.4942
Å
Cell c
7.4806
Å
α angle
70.00
°
β angle
70.00
°
γ angle
46.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Mg3Pt2
Dy
2.00 · 28.6%
Mg
3.00 · 42.9%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0235
eV/atom
Formation energy
-0.7979
eV/atom
Corrected total energy
-31.7524
eV
Raw total energy
-31.7524
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0192
eV
DOS at Fermi level
5.1199
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_532_spg12

Decomposition

DyMgPt Mg

Computed at

2024-04-22 17:11:31.071880

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: agm008936554).

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 agm008936554
data_agm008936554
_cell_length_a     5.49422
_cell_length_b     5.49422
_cell_length_c     7.48055
_cell_angle_alpha  70.00240
_cell_angle_beta   70.00240
_cell_angle_gamma  46.47246
_cell_volume       151.96229
_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 0.85600 0.85600 0.29251 1.00000
  Dy2 Dy 0.14400 0.14400 0.70749 1.00000
  Mg1 Mg 0.50000 0.50000 0.50000 1.00000
  Mg2 Mg 0.63468 0.63468 0.06004 1.00000
  Mg3 Mg 0.36532 0.36532 0.93996 1.00000
  Pt1 Pt 0.84526 0.84526 0.69700 1.00000
  Pt2 Pt 0.15474 0.15474 0.30300 1.00000
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