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DyU4O10

Alexandria ALEX

Alex-ID: agm012890746 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
DyU4O10
Alex-ID
agm012890746
Elements
3
Sites
30
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
393.28
ų
Cell a
15.7322
Å
Cell b
15.7322
Å
Cell c
6.6040
Å
α angle
86.12
°
β angle
93.88
°
γ angle
166.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyU4O10
Dy
2.00 · 6.7%
U
8.00 · 26.7%
O
20.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-3.8393
eV/atom
Corrected total energy
-313.8548
eV
Raw total energy
-299.8090
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0059
eV
DOS at Fermi level
39.2558
Total magnetisation
14.0027
μB

Additional Information

Prototype ID

AB4C10_27_spg1

Decomposition

DyU4O10

Computed at

2024-12-17 16:21:39.123366

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: agm012890746).

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 agm012890746
data_agm012890746
_cell_length_a     15.73220
_cell_length_b     15.73220
_cell_length_c     6.60405
_cell_angle_alpha  86.12008
_cell_angle_beta   93.87992
_cell_angle_gamma  166.04428
_cell_volume       393.28209
_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
  Dy1 Dy 0.40041 0.59959 0.30000 1.00000
  Dy2 Dy 0.59959 0.40041 0.70000 1.00000
  U1 U 0.00000 0.00000 0.50000 1.00000
  U2 U 0.30029 0.69971 0.59902 1.00000
  U3 U 0.50000 0.50000 0.00000 1.00000
  U4 U 0.69971 0.30029 0.40098 1.00000
  U5 U 0.90020 0.09980 0.79975 1.00000
  U6 U 0.80098 0.19902 0.10026 1.00000
  U7 U 0.19902 0.80098 0.89974 1.00000
  U8 U 0.09980 0.90020 0.20025 1.00000
  O1 O 0.52344 0.47656 0.67673 1.00000
  O2 O 0.07364 0.92636 0.51638 1.00000
  O3 O 0.92636 0.07364 0.48362 1.00000
  O4 O 0.02447 0.97553 0.17205 1.00000
  O5 O 0.57383 0.42617 0.03120 1.00000
  O6 O 0.47656 0.52344 0.32327 1.00000
  O7 O 0.37397 0.62603 0.63026 1.00000
  O8 O 0.77481 0.22519 0.42574 1.00000
  O9 O 0.32379 0.67621 0.27530 1.00000
  O10 O 0.22519 0.77481 0.57426 1.00000
  O11 O 0.87428 0.12572 0.11634 1.00000
  O12 O 0.97553 0.02447 0.82795 1.00000
  O13 O 0.42617 0.57383 0.96880 1.00000
  O14 O 0.27497 0.72503 0.92406 1.00000
  O15 O 0.82427 0.17573 0.77274 1.00000
  O16 O 0.72503 0.27497 0.07594 1.00000
  O17 O 0.17573 0.82427 0.22726 1.00000
  O18 O 0.62603 0.37397 0.36974 1.00000
  O19 O 0.12572 0.87428 0.88366 1.00000
  O20 O 0.67621 0.32379 0.72470 1.00000
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