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Ac(Pm2Cu)4

Alexandria ALEX

Alex-ID: agm098109536 · Space group: Cm (#8)

Basic Information

Formula
Ac(Pm2Cu)4
Alex-ID
agm098109536
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
370.51
ų
Cell a
3.7853
Å
Cell b
11.0128
Å
Cell c
9.3008
Å
α angle
77.72
°
β angle
101.77
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(Pm2Cu)4
Ac
1.00 · 7.7%
Pm
8.00 · 61.5%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0482
eV/atom
Formation energy
-0.0573
eV/atom
Corrected total energy
-59.4978
eV
Raw total energy
-59.4978
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7951
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1615_spg8

Decomposition

PmCu Ac Pm

Computed at

2025-06-14 03:50:33

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: agm098109536).

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 agm098109536
data_agm098109536
_cell_length_a     3.78534
_cell_length_b     11.01277
_cell_length_c     9.30080
_cell_angle_alpha  77.72089
_cell_angle_beta   101.76691
_cell_angle_gamma  90.00348
_cell_volume       370.51178
_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 0.52010 0.02648 0.03546 1.00000
  Pm1 Pm 0.15553 0.19737 0.30969 1.00000
  Pm2 Pm 0.50465 0.67585 0.01053 1.00000
  Pm3 Pm 0.84204 0.63195 0.68460 1.00000
  Pm4 Pm 0.83892 0.19907 0.67748 1.00000
  Pm5 Pm 0.16181 0.76158 0.32295 1.00000
  Pm6 Pm 0.68771 0.46842 0.37677 1.00000
  Pm7 Pm 0.47080 0.36007 0.94667 1.00000
  Pm8 Pm 0.31560 0.92625 0.62929 1.00000
  Cu1 Cu 0.94224 0.87531 0.88184 1.00000
  Cu2 Cu 0.05826 0.47836 0.12111 1.00000
  Cu3 Cu 0.30763 0.43287 0.61719 1.00000
  Cu4 Cu 0.69471 0.96642 0.38641 1.00000
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