CeU9O20

Alexandria ALEX

Alex-ID: agm023866196 · Space group: P-1 (#2)

Alexandria Database API

Basic Information

Formula

CeU9O20

Alex-ID

agm023866196

Elements

Sites

Space group

P-1 (#2)

Crystal system

triclinic

Volume

399.43

Å³

Cell a

6.6452

Cell b

7.6755

Cell c

8.5792

α angle

77.08

β angle

75.03

γ angle

73.22

Composition

Element Composition (atomic fraction)

Composition Info

Formula

CeU9O20

1.00 · 3.3%

9.00 · 30.0%

20.00 · 66.7%

Energy & Stability

Energy above hull

0.0001

eV/atom

Formation energy

-3.7870

eV/atom

Corrected total energy

-320.3015

Raw total energy

-306.2557

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0028

DOS at Fermi level

52.7258

Total magnetisation

18.0091

μB

Additional Information

Prototype ID

AB9C20_2_spg1

Decomposition

CeU4O10 UO2

Computed at

2025-02-02 16:12:39

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: agm023866196).

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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm023866196
data_agm023866196
_cell_length_a     6.64522
_cell_length_b     7.67549
_cell_length_c     8.57920
_cell_angle_alpha  77.07734
_cell_angle_beta   75.02614
_cell_angle_gamma  73.21691
_cell_volume       399.43129
_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
  Ce1 Ce 0.00000 0.00000 0.50000 1.00000
  U1 U 0.20061 0.29991 0.09976 1.00000
  U2 U 0.00000 0.50000 0.50000 1.00000
  U3 U 0.39936 0.60017 0.69993 1.00000
  U4 U 0.20025 0.79985 0.10011 1.00000
  U5 U 0.60064 0.39983 0.30007 1.00000
  U6 U 0.39959 0.10021 0.69982 1.00000
  U7 U 0.60041 0.89979 0.30018 1.00000
  U8 U 0.79939 0.70009 0.90024 1.00000
  U9 U 0.79975 0.20015 0.89989 1.00000
  O1 O 0.14918 0.60008 0.95238 1.00000
  O2 O 0.85082 0.39992 0.04762 1.00000
  O3 O 0.05002 0.69225 0.65450 1.00000
  O4 O 0.14975 0.09951 0.95014 1.00000
  O5 O 0.85025 0.90049 0.04986 1.00000
  O6 O 0.94998 0.30775 0.34550 1.00000
  O7 O 0.55285 0.69840 0.15006 1.00000
  O8 O 0.25413 0.49902 0.24970 1.00000
  O9 O 0.05092 0.20573 0.65337 1.00000
  O10 O 0.64868 0.59916 0.45067 1.00000
  O11 O 0.35132 0.40084 0.54933 1.00000
  O12 O 0.25737 0.99959 0.24397 1.00000
  O13 O 0.94908 0.79427 0.34663 1.00000
  O14 O 0.55177 0.20100 0.14759 1.00000
  O15 O 0.35754 0.89657 0.55243 1.00000
  O16 O 0.64246 0.10343 0.44757 1.00000
  O17 O 0.44715 0.30160 0.84994 1.00000
  O18 O 0.74587 0.50098 0.75030 1.00000
  O19 O 0.74263 0.00041 0.75603 1.00000
  O20 O 0.44823 0.79900 0.85241 1.00000

Get direct link