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La7Pm2

Alexandria ALEX

Alex-ID: agm009073000 · Space group: C2/m (#12)

Basic Information

Formula
La7Pm2
Alex-ID
agm009073000
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
325.29
ų
Cell a
3.7102
Å
Cell b
8.3125
Å
Cell c
11.1225
Å
α angle
103.01
°
β angle
90.00
°
γ angle
102.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La7Pm2
La
7.00 · 77.8%
Pm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0179
eV/atom
Formation energy
0.0137
eV/atom
Corrected total energy
-43.8701
eV
Raw total energy
-43.8701
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.6420
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

La7Pm LaPm

Computed at

2024-05-02 22:49:15.318594

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: agm009073000).

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 agm009073000
data_agm009073000
_cell_length_a     3.71021
_cell_length_b     8.31246
_cell_length_c     11.12253
_cell_angle_alpha  103.00548
_cell_angle_beta   90.00269
_cell_angle_gamma  102.93482
_cell_volume       325.28935
_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 0.66679 0.33450 0.88953 1.00000
  La2 La 0.33321 0.66550 0.11047 1.00000
  La3 La 0.66879 0.33257 0.55515 1.00000
  La4 La 0.33121 0.66743 0.44485 1.00000
  La5 La 0.00000 0.00000 0.00000 1.00000
  La6 La 0.00222 0.99943 0.33302 1.00000
  La7 La 0.99778 0.00057 0.66698 1.00000
  Pm1 Pm 0.66569 0.33413 0.22224 1.00000
  Pm2 Pm 0.33431 0.66587 0.77776 1.00000
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