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Ac2La5Pm4

Alexandria ALEX

Alex-ID: agm005646020 · Space group: P-1 (#2)

Basic Information

Formula
Ac2La5Pm4
Alex-ID
agm005646020
Elements
3
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
411.02
ų
Cell a
6.4943
Å
Cell b
9.9731
Å
Cell c
13.5569
Å
α angle
125.55
°
β angle
143.34
°
γ angle
70.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2La5Pm4
Ac
2.00 · 18.2%
La
5.00 · 45.5%
Pm
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0320
eV/atom
Formation energy
0.0252
eV/atom
Corrected total energy
-51.5790
eV
Raw total energy
-51.5790
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.4176
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_657_spg2

Decomposition

LaPm Ac AcLa11

Computed at

2023-06-22 03:39:01.187774

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: agm005646020).

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 agm005646020
data_agm005646020
_cell_length_a     6.49431
_cell_length_b     9.97311
_cell_length_c     13.55686
_cell_angle_alpha  125.55195
_cell_angle_beta   143.33709
_cell_angle_gamma  70.33804
_cell_volume       411.01647
_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 0.22537 0.26979 0.31578 1.00000
  Ac2 Ac 0.77463 0.73021 0.68422 1.00000
  La1 La 0.31404 0.18357 0.04363 1.00000
  La2 La 0.68596 0.81643 0.95637 1.00000
  La3 La 0.50000 0.00000 0.50000 1.00000
  La4 La 0.94576 0.54522 0.13124 1.00000
  La5 La 0.05424 0.45478 0.86876 1.00000
  Pm1 Pm 0.14141 0.36110 0.59131 1.00000
  Pm2 Pm 0.85859 0.63890 0.40869 1.00000
  Pm3 Pm 0.60451 0.90868 0.23334 1.00000
  Pm4 Pm 0.39549 0.09132 0.76666 1.00000
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