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Ac(Pm2Co)4

Alexandria ALEX

Alex-ID: agm097309890 · Space group: Pm (#6)

Basic Information

Formula
Ac(Pm2Co)4
Alex-ID
agm097309890
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
352.43
ų
Cell a
3.7494
Å
Cell b
10.0607
Å
Cell c
11.3756
Å
α angle
62.26
°
β angle
109.25
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(Pm2Co)4
Ac
1.00 · 7.7%
Pm
8.00 · 61.5%
Co
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0549
eV/atom
Formation energy
-0.0314
eV/atom
Corrected total energy
-71.0167
eV
Raw total energy
-71.0167
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.1260
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_774_spg1

Decomposition

Pm5Co2 PmCo Ac

Computed at

2025-06-13 02:39:57

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: agm097309890).

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 agm097309890
data_agm097309890
_cell_length_a     3.74938
_cell_length_b     10.06068
_cell_length_c     11.37563
_cell_angle_alpha  62.25639
_cell_angle_beta   109.24895
_cell_angle_gamma  89.99367
_cell_volume       352.43440
_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
  Ac1 Ac 0.71362 0.02839 0.98382 1.00000
  Pm1 Pm 0.53161 0.03200 0.30095 1.00000
  Pm2 Pm 0.72273 0.65602 0.99241 1.00000
  Pm3 Pm 0.35220 0.72543 0.62105 1.00000
  Pm4 Pm 0.36069 0.34901 0.62924 1.00000
  Pm5 Pm 0.04741 0.68822 0.31641 1.00000
  Pm6 Pm 0.53956 0.37041 0.30848 1.00000
  Pm7 Pm 0.15745 0.38431 0.92708 1.00000
  Pm8 Pm 0.90297 0.00663 0.67184 1.00000
  Co1 Co 0.32434 0.77733 0.09374 1.00000
  Co2 Co 0.88234 0.29486 0.15195 1.00000
  Co3 Co 0.78007 0.57536 0.54908 1.00000
  Co4 Co 0.18501 0.11202 0.45395 1.00000
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