Navigation

HEAS Data Platform · Materials Science Database

Ac8La3Pm2

Alexandria ALEX

Alex-ID: agm005607979 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Ac8La3Pm2
Alex-ID
agm005607979
Elements
3
Sites
26
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
1,101.48
ų
Cell a
3.8338
Å
Cell b
12.5989
Å
Cell c
22.8041
Å
α angle
89.97
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8La3Pm2
Ac
16.00 · 61.5%
La
6.00 · 23.1%
Pm
4.00 · 15.4%

Energy & Stability

Energy above hull
0.1284
eV/atom
Formation energy
0.1255
eV/atom
Corrected total energy
-111.0379
eV
Raw total energy
-111.0379
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
37.3197
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_471_spg55

Decomposition

LaPm Ac AcLa11

Computed at

2023-06-16 01:40:46.709211

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: agm005607979).

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 agm005607979
data_agm005607979
_cell_length_a     3.83380
_cell_length_b     12.59894
_cell_length_c     22.80407
_cell_angle_alpha  89.97377
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1101.47942
_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 0.00000 0.71809 0.95394 1.00000
  Ac2 Ac 0.00000 0.28191 0.04606 1.00000
  Ac3 Ac 0.00000 0.21808 0.54553 1.00000
  Ac4 Ac 0.00000 0.78192 0.45447 1.00000
  Ac5 Ac 0.00000 0.05699 0.15919 1.00000
  Ac6 Ac 0.00000 0.94301 0.84081 1.00000
  Ac7 Ac 0.00000 0.55780 0.34079 1.00000
  Ac8 Ac 0.00000 0.44220 0.65921 1.00000
  Ac9 Ac 0.50000 0.87185 0.28255 1.00000
  Ac10 Ac 0.50000 0.12815 0.71745 1.00000
  Ac11 Ac 0.50000 0.37226 0.21759 1.00000
  Ac12 Ac 0.50000 0.62774 0.78241 1.00000
  Ac13 Ac 0.50000 0.54318 0.07458 1.00000
  Ac14 Ac 0.50000 0.45682 0.92542 1.00000
  Ac15 Ac 0.50000 0.04298 0.42528 1.00000
  Ac16 Ac 0.50000 0.95702 0.57472 1.00000
  La1 La 0.00000 0.00000 0.00000 1.00000
  La2 La 0.00000 0.50000 0.50000 1.00000
  La3 La 0.00000 0.65455 0.19805 1.00000
  La4 La 0.00000 0.34545 0.80195 1.00000
  La5 La 0.00000 0.15437 0.30175 1.00000
  La6 La 0.00000 0.84563 0.69825 1.00000
  Pm1 Pm 0.50000 0.82596 0.09881 1.00000
  Pm2 Pm 0.50000 0.17404 0.90119 1.00000
  Pm3 Pm 0.50000 0.32615 0.40083 1.00000
  Pm4 Pm 0.50000 0.67385 0.59917 1.00000
Get direct link