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Ac8Pm4Y

Alexandria ALEX

Alex-ID: agm097403789 · Space group: Cm (#8)

Basic Information

Formula
Ac8Pm4Y
Alex-ID
agm097403789
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
531.25
ų
Cell a
3.8513
Å
Cell b
12.4501
Å
Cell c
12.7356
Å
α angle
62.02
°
β angle
81.28
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Pm4Y
Ac
8.00 · 61.5%
Pm
4.00 · 30.8%
Y
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0539
eV/atom
Formation energy
0.0526
eV/atom
Corrected total energy
-57.6499
eV
Raw total energy
-57.6499
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.9833
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_799_spg65

Decomposition

Pm5Y PmY2 Ac

Computed at

2025-06-19 21:56:33

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: agm097403789).

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 agm097403789
data_agm097403789
_cell_length_a     3.85131
_cell_length_b     12.45014
_cell_length_c     12.73564
_cell_angle_alpha  62.01566
_cell_angle_beta   81.28293
_cell_angle_gamma  90.01846
_cell_volume       531.24679
_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
  Ac1 Ac 0.96312 0.27723 0.14917 1.00000
  Ac2 Ac 0.42533 0.54683 0.22646 1.00000
  Ac3 Ac 0.23276 0.68200 0.61065 1.00000
  Ac4 Ac 0.15626 0.16749 0.76475 1.00000
  Ac5 Ac 0.88668 0.79662 0.30433 1.00000
  Ac6 Ac 0.80773 0.23539 0.46140 1.00000
  Ac7 Ac 0.61371 0.39966 0.84845 1.00000
  Ac8 Ac 0.68233 0.90138 0.71253 1.00000
  Pm1 Pm 0.03999 0.84413 0.99831 1.00000
  Pm2 Pm 0.07031 0.60717 0.93548 1.00000
  Pm3 Pm 0.77291 0.47121 0.53221 1.00000
  Pm4 Pm 0.34288 0.01294 0.39023 1.00000
  Y1 Y 0.50601 0.05795 0.06602 1.00000
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