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Pm2Pr2Ho15

Alexandria ALEX

Alex-ID: agm005550554 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Pm2Pr2Ho15
Alex-ID
agm005550554
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
641.30
ų
Cell a
8.6923
Å
Cell b
8.6923
Å
Cell c
8.6923
Å
α angle
82.51
°
β angle
82.51
°
γ angle
82.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2Pr2Ho15
Pm
2.00 · 10.5%
Pr
2.00 · 10.5%
Ho
15.00 · 78.9%

Energy & Stability

Energy above hull
0.2762
eV/atom
Formation energy
0.2723
eV/atom
Corrected total energy
-82.5727
eV
Raw total energy
-82.5727
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
36.6842
Total magnetisation
0.0079
μB

Additional Information

Prototype ID

A2B2C15_1_spg166

Decomposition

Pr2Ho7 Pm2Ho7 PmHo8

Computed at

2023-06-02 07:26:45.899593

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: agm005550554).

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 agm005550554
data_agm005550554
_cell_length_a     8.69229
_cell_length_b     8.69229
_cell_length_c     8.69229
_cell_angle_alpha  82.51368
_cell_angle_beta   82.51369
_cell_angle_gamma  82.51369
_cell_volume       641.30118
_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
  Pm1 Pm 0.64969 0.64969 0.64970 1.00000
  Pm2 Pm 0.35031 0.35030 0.35031 1.00000
  Pr1 Pr 0.88664 0.88664 0.88664 1.00000
  Pr2 Pr 0.11336 0.11336 0.11336 1.00000
  Ho1 Ho 0.00000 0.50000 0.00000 1.00000
  Ho2 Ho 0.00000 0.00000 0.50000 1.00000
  Ho3 Ho 0.50000 0.00000 0.00000 1.00000
  Ho4 Ho 0.34261 0.00000 0.65739 1.00000
  Ho5 Ho 0.65739 0.34261 1.00000 1.00000
  Ho6 Ho 1.00000 0.65739 0.34261 1.00000
  Ho7 Ho 0.34261 0.65739 0.00000 1.00000
  Ho8 Ho 0.00000 0.34261 0.65739 1.00000
  Ho9 Ho 0.65739 1.00000 0.34261 1.00000
  Ho10 Ho 0.33446 0.80679 0.33446 1.00000
  Ho11 Ho 0.33446 0.33446 0.80679 1.00000
  Ho12 Ho 0.80679 0.33446 0.33446 1.00000
  Ho13 Ho 0.66554 0.19321 0.66554 1.00000
  Ho14 Ho 0.66554 0.66554 0.19321 1.00000
  Ho15 Ho 0.19321 0.66554 0.66554 1.00000
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