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La2Pm7

Alexandria ALEX

Alex-ID: agm008768482 · Space group: P-1 (#2)

Basic Information

Formula
La2Pm7
Alex-ID
agm008768482
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
315.94
ų
Cell a
6.3592
Å
Cell b
6.3703
Å
Cell c
8.2223
Å
α angle
75.06
°
β angle
82.48
°
γ angle
80.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Pm7
La
2.00 · 22.2%
Pm
7.00 · 77.8%

Energy & Stability

Energy above hull
0.0222
eV/atom
Formation energy
0.0181
eV/atom
Corrected total energy
-42.9461
eV
Raw total energy
-42.9461
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.1845
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_54_spg162

Decomposition

LaPm Pm

Computed at

2024-04-22 14:40:23.690881

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: agm008768482).

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 agm008768482
data_agm008768482
_cell_length_a     6.35920
_cell_length_b     6.37029
_cell_length_c     8.22227
_cell_angle_alpha  75.05951
_cell_angle_beta   82.47959
_cell_angle_gamma  80.37612
_cell_volume       315.94433
_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 0.55563 0.77815 0.88781 1.00000
  La2 La 0.44437 0.22185 0.11219 1.00000
  Pm1 Pm 0.66622 0.33382 0.66477 1.00000
  Pm2 Pm 0.88961 0.44538 0.22374 1.00000
  Pm3 Pm 0.11039 0.55462 0.77626 1.00000
  Pm4 Pm 0.33378 0.66618 0.33523 1.00000
  Pm5 Pm 0.00000 0.00000 0.00000 1.00000
  Pm6 Pm 0.77965 0.88879 0.44439 1.00000
  Pm7 Pm 0.22035 0.11121 0.55561 1.00000
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