Pm4Dy11Tm9

Alexandria ALEX

Alex-ID: agm005752614 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Pm4Dy11Tm9

Alex-ID

agm005752614

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

754.49

Å³

Cell a

3.5129

Cell b

14.6594

Cell c

14.6594

α angle

91.91

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Pm4Dy11Tm9

4.00 · 16.7%

11.00 · 45.8%

9.00 · 37.5%

Energy & Stability

Energy above hull

0.0638

eV/atom

Formation energy

0.0573

eV/atom

Corrected total energy

-108.5130

Raw total energy

-108.5130

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0038

DOS at Fermi level

33.9468

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A4B9C11_10_spg65

Decomposition

Pm2Dy7 DyTm5 Pm3Dy5

Computed at

2023-07-11 04:48:06.178443

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: agm005752614).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005752614
data_agm005752614
_cell_length_a     3.51287
_cell_length_b     14.65935
_cell_length_c     14.65935
_cell_angle_alpha  91.90722
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       754.48637
_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 0.50000 0.54916 0.72090 1.00000
  Pm2 Pm 0.50000 0.45084 0.27910 1.00000
  Pm3 Pm 0.50000 0.72090 0.54916 1.00000
  Pm4 Pm 0.50000 0.27910 0.45084 1.00000
  Dy1 Dy 0.00000 0.58549 0.92207 1.00000
  Dy2 Dy 0.00000 0.41451 0.07793 1.00000
  Dy3 Dy 0.00000 0.92207 0.58549 1.00000
  Dy4 Dy 0.00000 0.07793 0.41451 1.00000
  Dy5 Dy 0.00000 0.65913 0.34087 1.00000
  Dy6 Dy 0.00000 0.34087 0.65913 1.00000
  Dy7 Dy 0.00000 0.83105 0.16895 1.00000
  Dy8 Dy 0.00000 0.16895 0.83105 1.00000
  Dy9 Dy 0.00000 0.00000 0.00000 1.00000
  Dy10 Dy 0.00000 0.75932 0.75932 1.00000
  Dy11 Dy 0.00000 0.24068 0.24068 1.00000
  Tm1 Tm 0.50000 0.62408 0.12859 1.00000
  Tm2 Tm 0.50000 0.37592 0.87141 1.00000
  Tm3 Tm 0.50000 0.12859 0.62408 1.00000
  Tm4 Tm 0.50000 0.87141 0.37592 1.00000
  Tm5 Tm 0.50000 0.79434 0.96413 1.00000
  Tm6 Tm 0.50000 0.20566 0.03587 1.00000
  Tm7 Tm 0.50000 0.96413 0.79434 1.00000
  Tm8 Tm 0.50000 0.03587 0.20566 1.00000
  Tm9 Tm 0.50000 0.50000 0.50000 1.00000

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