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Ac4Pr4Ho3

Alexandria ALEX

Alex-ID: agm005704571 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Ac4Pr4Ho3
Alex-ID
agm005704571
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
490.11
ų
Cell a
3.7662
Å
Cell b
16.5136
Å
Cell c
11.5681
Å
α angle
135.54
°
β angle
99.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac4Pr4Ho3
Ac
4.00 · 36.4%
Pr
4.00 · 36.4%
Ho
3.00 · 27.3%

Energy & Stability

Energy above hull
0.5193
eV/atom
Formation energy
0.5185
eV/atom
Corrected total energy
-43.6018
eV
Raw total energy
-43.6018
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.3820
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_242_spg71

Decomposition

Pr2Ho7 Ac Pr

Computed at

2023-06-29 22:51:24.378264

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: agm005704571).

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 agm005704571
data_agm005704571
_cell_length_a     3.76624
_cell_length_b     16.51357
_cell_length_c     11.56813
_cell_angle_alpha  135.54117
_cell_angle_beta   99.36863
_cell_angle_gamma  89.99997
_cell_volume       490.11467
_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 0.77920 0.27920 0.55841 1.00000
  Ac2 Ac 0.22080 0.72080 0.44159 1.00000
  Ac3 Ac 0.50000 0.84435 1.00000 1.00000
  Ac4 Ac 0.50000 0.15565 0.00000 1.00000
  Pr1 Pr 0.62162 0.46066 0.24323 1.00000
  Pr2 Pr 0.37838 0.21743 0.75677 1.00000
  Pr3 Pr 0.37838 0.53934 0.75677 1.00000
  Pr4 Pr 0.62162 0.78257 0.24323 1.00000
  Ho1 Ho 0.89815 0.89815 0.79629 1.00000
  Ho2 Ho 0.10185 0.10185 0.20371 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
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