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LaPm8Y3

Alexandria ALEX

Alex-ID: agm014365201 · Space group: Pm (#6)

Basic Information

Formula
LaPm8Y3
Alex-ID
agm014365201
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
410.28
ų
Cell a
9.0488
Å
Cell b
3.6740
Å
Cell c
12.6945
Å
α angle
90.00
°
β angle
103.56
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaPm8Y3
La
1.00 · 8.3%
Pm
8.00 · 66.7%
Y
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0069
eV/atom
Formation energy
0.0014
eV/atom
Corrected total energy
-62.3048
eV
Raw total energy
-62.3048
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0106
eV
DOS at Fermi level
16.4980
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_851_spg6

Decomposition

Pm5Y LaPm PmY2

Computed at

2025-03-09 09:27:39

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: agm014365201).

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 agm014365201
data_agm014365201
_cell_length_a     9.04884
_cell_length_b     3.67400
_cell_length_c     12.69453
_cell_angle_alpha  90.00000
_cell_angle_beta   103.55585
_cell_angle_gamma  90.00000
_cell_volume       410.27813
_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 0.75227 0.00000 0.20769 1.00000
  Pm1 Pm 0.41683 0.50000 0.06739 1.00000
  Pm2 Pm 0.41697 0.00000 0.31925 1.00000
  Pm3 Pm 0.08705 0.50000 0.34699 1.00000
  Pm4 Pm 0.08712 0.00000 0.59862 1.00000
  Pm5 Pm 0.75228 0.50000 0.46072 1.00000
  Pm6 Pm 0.75550 0.00000 0.71047 1.00000
  Pm7 Pm 0.75370 0.50000 0.95653 1.00000
  Pm8 Pm 0.42043 0.50000 0.57265 1.00000
  Y1 Y 0.08565 0.00000 0.09462 1.00000
  Y2 Y 0.41827 0.00000 0.82034 1.00000
  Y3 Y 0.08769 0.50000 0.84817 1.00000
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