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U10Pd3

Alexandria ALEX

Alex-ID: agm017978280 · Space group: P-1 (#2)

Basic Information

Formula
U10Pd3
Alex-ID
agm017978280
Elements
2
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
259.11
ų
Cell a
4.9295
Å
Cell b
5.6627
Å
Cell c
9.6717
Å
α angle
103.45
°
β angle
99.06
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U10Pd3
U
10.00 · 76.9%
Pd
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1807
eV/atom
Formation energy
-0.0305
eV/atom
Corrected total energy
-128.8563
eV
Raw total energy
-128.8563
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0124
eV
DOS at Fermi level
28.5098
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B10_126_spg2

Decomposition

UPd U

Computed at

2024-09-25 03:25:46.920005

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: agm017978280).

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 agm017978280
data_agm017978280
_cell_length_a     4.92954
_cell_length_b     5.66273
_cell_length_c     9.67168
_cell_angle_alpha  103.44725
_cell_angle_beta   99.06125
_cell_angle_gamma  90.02870
_cell_volume       259.10915
_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 0.28842 0.17061 0.13604 1.00000
  U2 U 0.71158 0.82939 0.86396 1.00000
  U3 U 0.30126 0.66382 0.25954 1.00000
  U4 U 0.69874 0.33618 0.74046 1.00000
  U5 U 0.87696 0.91452 0.17412 1.00000
  U6 U 0.88487 0.45329 0.36519 1.00000
  U7 U 0.11513 0.54671 0.63481 1.00000
  U8 U 0.12304 0.08548 0.82588 1.00000
  U9 U 0.52954 0.79337 0.59718 1.00000
  U10 U 0.47046 0.20663 0.40282 1.00000
  Pd1 Pd 0.00000 0.00000 0.50000 1.00000
  Pd2 Pd 0.75141 0.39370 0.04392 1.00000
  Pd3 Pd 0.24859 0.60630 0.95608 1.00000
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