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Ac2La3Pm5

Alexandria ALEX

Alex-ID: agm005607052 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Ac2La3Pm5
Alex-ID
agm005607052
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
750.72
ų
Cell a
10.8325
Å
Cell b
10.7736
Å
Cell c
11.7330
Å
α angle
132.18
°
β angle
132.28
°
γ angle
62.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2La3Pm5
Ac
4.00 · 20.0%
La
6.00 · 30.0%
Pm
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1874
eV/atom
Formation energy
0.1819
eV/atom
Corrected total energy
-89.8668
eV
Raw total energy
-89.8668
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0081
eV
DOS at Fermi level
35.7159
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C5_183_spg15

Decomposition

LaPm Ac Pm

Computed at

2023-06-24 21:23:00.447595

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: agm005607052).

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 agm005607052
data_agm005607052
_cell_length_a     10.83245
_cell_length_b     10.77363
_cell_length_c     11.73300
_cell_angle_alpha  132.17504
_cell_angle_beta   132.27980
_cell_angle_gamma  62.62217
_cell_volume       750.72221
_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 0.77449 0.02380 0.74634 1.00000
  Ac2 Ac 0.22551 0.97620 0.25366 1.00000
  Ac3 Ac 0.47185 0.72254 0.74634 1.00000
  Ac4 Ac 0.52815 0.27746 0.25366 1.00000
  La1 La 0.22381 0.97381 0.94761 1.00000
  La2 La 0.77619 0.02619 0.05239 1.00000
  La3 La 0.72104 0.47306 0.25064 1.00000
  La4 La 0.27896 0.52694 0.74936 1.00000
  La5 La 0.02960 0.77757 0.25064 1.00000
  La6 La 0.97040 0.22243 0.74936 1.00000
  Pm1 Pm 0.25818 0.50818 0.01637 1.00000
  Pm2 Pm 0.74182 0.49182 0.98363 1.00000
  Pm3 Pm 0.00579 0.75579 0.51158 1.00000
  Pm4 Pm 0.52372 0.27372 0.54745 1.00000
  Pm5 Pm 0.99421 0.24421 0.48842 1.00000
  Pm6 Pm 0.47628 0.72628 0.45255 1.00000
  Pm7 Pm 0.86904 0.62365 0.74818 1.00000
  Pm8 Pm 0.13096 0.37635 0.25182 1.00000
  Pm9 Pm 0.37914 0.12453 0.74818 1.00000
  Pm10 Pm 0.62086 0.87547 0.25182 1.00000
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