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Pm8YCo4

Alexandria ALEX

Alex-ID: agm097931342 · Space group: Pm (#6)

Basic Information

Formula
Pm8YCo4
Alex-ID
agm097931342
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
341.18
ų
Cell a
3.7067
Å
Cell b
10.6725
Å
Cell c
9.9584
Å
α angle
60.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8YCo4
Pm
8.00 · 61.5%
Y
1.00 · 7.7%
Co
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0476
eV/atom
Formation energy
-0.0519
eV/atom
Corrected total energy
-73.6378
eV
Raw total energy
-73.6378
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.7563
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB4C8_774_spg1

Decomposition

Y5Co2 Pm5Co2 YCo

Computed at

2025-06-13 01:49:30

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: agm097931342).

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 agm097931342
data_agm097931342
_cell_length_a     3.70670
_cell_length_b     10.67248
_cell_length_c     9.95841
_cell_angle_alpha  60.00310
_cell_angle_beta   90.00112
_cell_angle_gamma  89.99829
_cell_volume       341.18259
_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 0.23068 0.07685 0.30691 1.00000
  Pm2 Pm 0.73079 0.68925 0.99964 1.00000
  Pm3 Pm 0.23076 0.70717 0.66049 1.00000
  Pm4 Pm 0.23085 0.31352 0.69235 1.00000
  Pm5 Pm 0.23064 0.68383 0.33179 1.00000
  Pm6 Pm 0.73109 0.36630 0.34459 1.00000
  Pm7 Pm 0.73102 0.37969 0.96283 1.00000
  Pm8 Pm 0.73061 0.01893 0.66394 1.00000
  Y1 Y 0.73068 0.00211 0.03933 1.00000
  Co1 Co 0.23064 0.91551 0.89730 1.00000
  Co2 Co 0.23096 0.45483 0.11389 1.00000
  Co3 Co 0.73068 0.53941 0.59441 1.00000
  Co4 Co 0.73059 0.85259 0.39253 1.00000
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