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Pm4(DyY)3

Alexandria ALEX

Alex-ID: agm005686129 · Space group: Amm2 (#38)

Basic Information

Formula
Pm4(DyY)3
Alex-ID
agm005686129
Elements
3
Sites
10
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
331.59
ų
Cell a
3.8043
Å
Cell b
9.3362
Å
Cell c
9.3362
Å
α angle
90.06
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4(DyY)3
Pm
4.00 · 40.0%
Dy
3.00 · 30.0%
Y
3.00 · 30.0%

Energy & Stability

Energy above hull
0.0938
eV/atom
Formation energy
0.0866
eV/atom
Corrected total energy
-51.3369
eV
Raw total energy
-51.3369
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0030
eV
DOS at Fermi level
8.1519
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C4_6_spg38

Decomposition

Pm5Y Pm3Dy5 PmY2

Computed at

2023-06-29 09:11:25.486717

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: agm005686129).

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 agm005686129
data_agm005686129
_cell_length_a     3.80427
_cell_length_b     9.33616
_cell_length_c     9.33616
_cell_angle_alpha  90.06498
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       331.59493
_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
  Pm1 Pm 0.00000 0.63100 0.36900 1.00000
  Pm2 Pm 0.00000 0.37067 0.62933 1.00000
  Pm3 Pm 0.00000 0.86824 0.87024 1.00000
  Pm4 Pm 0.00000 0.12976 0.13176 1.00000
  Dy1 Dy 0.50000 0.83139 0.16861 1.00000
  Dy2 Dy 0.50000 0.33166 0.33139 1.00000
  Dy3 Dy 0.50000 0.66861 0.66834 1.00000
  Y1 Y 0.00000 0.49949 0.99973 1.00000
  Y2 Y 0.00000 0.00027 0.50051 1.00000
  Y3 Y 0.50000 0.16890 0.83110 1.00000
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