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Ac8Pm2Ho3

Alexandria ALEX

Alex-ID: agm005613402 · Space group: P-1 (#2)

Basic Information

Formula
Ac8Pm2Ho3
Alex-ID
agm005613402
Elements
3
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
518.43
ų
Cell a
6.6732
Å
Cell b
6.6497
Å
Cell c
12.0680
Å
α angle
79.30
°
β angle
89.84
°
γ angle
99.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Pm2Ho3
Ac
8.00 · 61.5%
Pm
2.00 · 15.4%
Ho
3.00 · 23.1%

Energy & Stability

Energy above hull
0.0595
eV/atom
Formation energy
0.0576
eV/atom
Corrected total energy
-55.3554
eV
Raw total energy
-55.3554
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.7362
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_364_spg2

Decomposition

Pm3Ho5 Ac Pm

Computed at

2023-06-16 05:28:48.190658

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: agm005613402).

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 agm005613402
data_agm005613402
_cell_length_a     6.67322
_cell_length_b     6.64971
_cell_length_c     12.06799
_cell_angle_alpha  79.30465
_cell_angle_beta   89.84057
_cell_angle_gamma  99.66351
_cell_volume       518.42815
_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 0.08585 0.45692 0.14887 1.00000
  Ac2 Ac 0.91415 0.54308 0.85113 1.00000
  Ac3 Ac 0.15560 0.91878 0.30496 1.00000
  Ac4 Ac 0.84440 0.08122 0.69504 1.00000
  Ac5 Ac 0.30667 0.84140 0.61764 1.00000
  Ac6 Ac 0.38164 0.30332 0.77832 1.00000
  Ac7 Ac 0.61836 0.69668 0.22168 1.00000
  Ac8 Ac 0.69333 0.15860 0.38236 1.00000
  Pm1 Pm 0.76688 0.61268 0.53733 1.00000
  Pm2 Pm 0.23312 0.38732 0.46267 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.53930 0.22393 0.07293 1.00000
  Ho3 Ho 0.46070 0.77607 0.92707 1.00000
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