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Pm2Ho7Co3

Alexandria ALEX

Alex-ID: agm101412795 · Space group: P1 (#1)

Basic Information

Formula
Pm2Ho7Co3
Alex-ID
agm101412795
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
306.99
ų
Cell a
6.2001
Å
Cell b
5.5523
Å
Cell c
10.1431
Å
α angle
80.91
°
β angle
77.89
°
γ angle
64.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2Ho7Co3
Pm
2.00 · 16.7%
Ho
7.00 · 58.3%
Co
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0748
eV/atom
Formation energy
-0.0824
eV/atom
Corrected total energy
-63.9114
eV
Raw total energy
-63.9114
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0510
eV
DOS at Fermi level
11.7574
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_655_spg1

Decomposition

Pm3Co Ho5Co2 Pm

Computed at

2025-05-16 00:29:31

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: agm101412795).

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 agm101412795
data_agm101412795
_cell_length_a     6.20014
_cell_length_b     5.55234
_cell_length_c     10.14310
_cell_angle_alpha  80.91064
_cell_angle_beta   77.88828
_cell_angle_gamma  64.39829
_cell_volume       306.98864
_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 0.54264 0.80517 0.00668 1.00000
  Pm2 Pm 0.27550 0.46193 0.90561 1.00000
  Ho1 Ho 0.68680 0.36693 0.53612 1.00000
  Ho2 Ho 0.59516 0.23313 0.23160 1.00000
  Ho3 Ho 0.98478 0.56817 0.23076 1.00000
  Ho4 Ho 0.23362 0.89342 0.35966 1.00000
  Ho5 Ho 0.88499 0.16174 0.89713 1.00000
  Ho6 Ho 0.35680 0.00596 0.65615 1.00000
  Ho7 Ho 0.94958 0.69172 0.65962 1.00000
  Co1 Co 0.07162 0.06223 0.11916 1.00000
  Co2 Co 0.71287 0.87086 0.44627 1.00000
  Co3 Co 0.20564 0.37875 0.45124 1.00000
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