Navigation

HEAS Data Platform · Materials Science Database

La9Pm

Alexandria ALEX

Alex-ID: agm063534271 · Space group: C2/m (#12)

Basic Information

Formula
La9Pm
Alex-ID
agm063534271
Elements
2
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
362.64
ų
Cell a
3.7150
Å
Cell b
9.8177
Å
Cell c
10.5249
Å
α angle
105.62
°
β angle
90.01
°
γ angle
100.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La9Pm
La
9.00 · 90.0%
Pm
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0101
eV/atom
Formation energy
0.0081
eV/atom
Corrected total energy
-49.0167
eV
Raw total energy
-49.0167
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0068
eV
DOS at Fermi level
18.8776
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB9_54_spg12

Decomposition

La7Pm La

Computed at

2025-02-07 08:27:15

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: agm063534271).

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 agm063534271
data_agm063534271
_cell_length_a     3.71501
_cell_length_b     9.81771
_cell_length_c     10.52487
_cell_angle_alpha  105.62057
_cell_angle_beta   90.01461
_cell_angle_gamma  100.78420
_cell_volume       362.64499
_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 0.30067 0.60072 0.40026 1.00000
  La2 La 0.90028 0.80075 0.19930 1.00000
  La3 La 0.09972 0.19925 0.80070 1.00000
  La4 La 0.50000 0.00000 0.50000 1.00000
  La5 La 0.69933 0.39928 0.59974 1.00000
  La6 La 0.29971 0.60014 0.90003 1.00000
  La7 La 0.90042 0.80030 0.70112 1.00000
  La8 La 0.70029 0.39986 0.09997 1.00000
  La9 La 0.09958 0.19970 0.29888 1.00000
  Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Get direct link