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Pm5(GeO)2

Alexandria ALEX

Alex-ID: agm003312965 · Space group: C2/m (#12)

Basic Information

Formula
Pm5(GeO)2
Alex-ID
agm003312965
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
214.19
ų
Cell a
4.9910
Å
Cell b
6.9631
Å
Cell c
6.9731
Å
α angle
107.49
°
β angle
90.00
°
γ angle
111.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm5(GeO)2
Pm
5.00 · 55.6%
Ge
2.00 · 22.2%
O
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1526
eV/atom
Formation energy
-1.7024
eV/atom
Corrected total energy
-58.2258
eV
Raw total energy
-56.8212
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8599
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_213_spg12

Decomposition

Pm2O3 Pm5Ge3O Pm

Computed at

2022-01-20 12:38:42.895004

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: agm003312965).

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 agm003312965
data_agm003312965
_cell_length_a     4.99102
_cell_length_b     6.96309
_cell_length_c     6.97306
_cell_angle_alpha  107.48973
_cell_angle_beta   90.00000
_cell_angle_gamma  111.00145
_cell_volume       214.19318
_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 0.34405 0.68810 0.09817 1.00000
  Pm2 Pm 0.65595 0.31190 0.90183 1.00000
  Pm3 Pm 0.15690 0.31381 0.55015 1.00000
  Pm4 Pm 0.84310 0.68619 0.44985 1.00000
  Pm5 Pm 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.40451 0.80903 0.70489 1.00000
  Ge2 Ge 0.59549 0.19097 0.29511 1.00000
  O1 O 0.16072 0.32143 0.88510 1.00000
  O2 O 0.83928 0.67857 0.11490 1.00000
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