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U8CoPd2

Alexandria ALEX

Alex-ID: agm012159151 · Space group: C2/m (#12)

Basic Information

Formula
U8CoPd2
Alex-ID
agm012159151
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
209.88
ų
Cell a
9.1640
Å
Cell b
9.1640
Å
Cell c
5.0560
Å
α angle
89.97
°
β angle
89.97
°
γ angle
29.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U8CoPd2
U
8.00 · 72.7%
Co
1.00 · 9.1%
Pd
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1526
eV/atom
Formation energy
-0.0642
eV/atom
Corrected total energy
-108.5206
eV
Raw total energy
-108.5206
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
26.0279
Total magnetisation
0.1181
μB

Additional Information

Prototype ID

AB2C8_296_spg12

Decomposition

UCo U UPd

Computed at

2024-06-03 20:25:46.724700

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: agm012159151).

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 agm012159151
data_agm012159151
_cell_length_a     9.16399
_cell_length_b     9.16399
_cell_length_c     5.05602
_cell_angle_alpha  89.97060
_cell_angle_beta   89.97060
_cell_angle_gamma  29.62400
_cell_volume       209.88140
_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
  U1 U 0.41412 0.41412 0.46752 1.00000
  U2 U 0.68315 0.68315 0.15877 1.00000
  U3 U 0.75815 0.75815 0.69097 1.00000
  U4 U 0.04378 0.04378 0.28500 1.00000
  U5 U 0.24185 0.24185 0.30903 1.00000
  U6 U 0.31685 0.31685 0.84123 1.00000
  U7 U 0.58588 0.58588 0.53248 1.00000
  U8 U 0.95622 0.95622 0.71500 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Pd1 Pd 0.86320 0.86320 0.18628 1.00000
  Pd2 Pd 0.13680 0.13680 0.81372 1.00000
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