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La2Ho2U5

Alexandria ALEX

Alex-ID: agm012034469 · Space group: P-1 (#2)

Alexandria Database API

Basic Information

Formula
La2Ho2U5
Alex-ID
agm012034469
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
234.23
ų
Cell a
3.3615
Å
Cell b
5.9576
Å
Cell c
12.4387
Å
α angle
85.02
°
β angle
81.08
°
γ angle
72.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Ho2U5
La
2.00 · 22.2%
Ho
2.00 · 22.2%
U
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1924
eV/atom
Formation energy
0.1895
eV/atom
Corrected total energy
-73.7475
eV
Raw total energy
-73.7475
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0233
eV
DOS at Fermi level
21.0353
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_1700_spg2

Decomposition

La7Ho LaHo2 U

Computed at

2024-05-29 15:23:14.620209

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: agm012034469).

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 agm012034469
data_agm012034469
_cell_length_a     3.36149
_cell_length_b     5.95763
_cell_length_c     12.43869
_cell_angle_alpha  85.02305
_cell_angle_beta   81.07936
_cell_angle_gamma  72.29702
_cell_volume       234.22953
_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
  La1 La 0.31237 0.25930 0.58371 1.00000
  La2 La 0.68763 0.74070 0.41629 1.00000
  Ho1 Ho 0.03741 0.77264 0.69925 1.00000
  Ho2 Ho 0.96259 0.22736 0.30075 1.00000
  U1 U 0.59458 0.06532 0.08691 1.00000
  U2 U 0.40542 0.93468 0.91309 1.00000
  U3 U 0.42054 0.68667 0.16635 1.00000
  U4 U 0.57946 0.31333 0.83365 1.00000
  U5 U 0.00000 0.50000 0.00000 1.00000
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