Pr5(Ge7Os2)2

Alexandria ALEX

Alex-ID: agm008209159 · Space group: P2_1/c (#14)

Alexandria Database API

Basic Information

Formula

Pr5(Ge7Os2)2

Alex-ID

agm008209159

Elements

Sites

Space group

P2_1/c (#14)

Crystal system

monoclinic

Volume

932.73

Å³

Cell a

8.3780

Cell b

8.4444

Cell c

13.3427

α angle

90.00

β angle

98.85

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Pr5(Ge7Os2)2

10.00 · 21.7%

28.00 · 60.9%

8.00 · 17.4%

Energy & Stability

Energy above hull

0.0153

eV/atom

Formation energy

-0.4858

eV/atom

Corrected total energy

-289.3106

Raw total energy

-289.3106

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0379

DOS at Fermi level

19.5615

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A4B5C14_6_spg2

Decomposition

Pr4Ge7 PrGe3Os Ge

Computed at

2025-01-22 13:05:40

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: agm008209159).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008209159
data_agm008209159
_cell_length_a     8.37802
_cell_length_b     8.44443
_cell_length_c     13.34271
_cell_angle_alpha  90.00000
_cell_angle_beta   98.84745
_cell_angle_gamma  90.00000
_cell_volume       932.73244
_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
  Pr1 Pr 0.34369 0.74545 0.36349 1.00000
  Pr2 Pr 0.15631 0.24545 0.63651 1.00000
  Pr3 Pr 0.65631 0.25455 0.63651 1.00000
  Pr4 Pr 0.84369 0.75455 0.36349 1.00000
  Pr5 Pr 0.16335 0.74605 0.63522 1.00000
  Pr6 Pr 0.33665 0.24605 0.36478 1.00000
  Pr7 Pr 0.83665 0.25395 0.36478 1.00000
  Pr8 Pr 0.66335 0.75395 0.63522 1.00000
  Pr9 Pr 0.00000 0.50000 0.00000 1.00000
  Pr10 Pr 0.50000 0.00000 0.00000 1.00000
  Ge1 Ge 0.60948 0.00040 0.43836 1.00000
  Ge2 Ge 0.89052 0.50040 0.56164 1.00000
  Ge3 Ge 0.39052 0.99960 0.56164 1.00000
  Ge4 Ge 0.10948 0.49960 0.43836 1.00000
  Ge5 Ge 0.39119 0.50024 0.55832 1.00000
  Ge6 Ge 0.10881 0.00024 0.44168 1.00000
  Ge7 Ge 0.60881 0.49976 0.44168 1.00000
  Ge8 Ge 0.89119 0.99976 0.55832 1.00000
  Ge9 Ge 0.82148 0.00789 0.17961 1.00000
  Ge10 Ge 0.67852 0.50789 0.82039 1.00000
  Ge11 Ge 0.17852 0.99211 0.82039 1.00000
  Ge12 Ge 0.32148 0.49211 0.17961 1.00000
  Ge13 Ge 0.76637 0.50823 0.17913 1.00000
  Ge14 Ge 0.73363 0.00823 0.82087 1.00000
  Ge15 Ge 0.23363 0.49177 0.82087 1.00000
  Ge16 Ge 0.26637 0.99177 0.17913 1.00000
  Ge17 Ge 0.53712 0.27760 0.18015 1.00000
  Ge18 Ge 0.96288 0.77760 0.81985 1.00000
  Ge19 Ge 0.66971 0.32872 0.00019 1.00000
  Ge20 Ge 0.83029 0.82872 0.99981 1.00000
  Ge21 Ge 0.33029 0.67128 0.99981 1.00000
  Ge22 Ge 0.16971 0.17128 0.00019 1.00000
  Ge23 Ge 0.05210 0.77782 0.17991 1.00000
  Ge24 Ge 0.44790 0.27782 0.82009 1.00000
  Ge25 Ge 0.94790 0.22218 0.82009 1.00000
  Ge26 Ge 0.55210 0.72218 0.17991 1.00000
  Ge27 Ge 0.03712 0.22240 0.18015 1.00000
  Ge28 Ge 0.46288 0.72240 0.81985 1.00000
  Os1 Os 0.87593 0.12223 0.00043 1.00000
  Os2 Os 0.62407 0.62223 0.99957 1.00000
  Os3 Os 0.12407 0.87777 0.99957 1.00000
  Os4 Os 0.37593 0.37777 0.00043 1.00000
  Os5 Os 0.06134 0.49996 0.25064 1.00000
  Os6 Os 0.43866 0.99996 0.74936 1.00000
  Os7 Os 0.93866 0.50004 0.74936 1.00000
  Os8 Os 0.56134 0.00004 0.25064 1.00000

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