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Er4UMn2

Alexandria ALEX

Alex-ID: agm017758833 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Er4UMn2
Alex-ID
agm017758833
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
165.85
ų
Cell a
5.8539
Å
Cell b
5.8539
Å
Cell c
8.3260
Å
α angle
68.10
°
β angle
111.90
°
γ angle
140.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4UMn2
Er
4.00 · 57.1%
U
1.00 · 14.3%
Mn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0530
eV/atom
Formation energy
-0.0232
eV/atom
Corrected total energy
-48.0413
eV
Raw total energy
-48.0413
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0066
eV
DOS at Fermi level
8.7994
Total magnetisation
0.7785
μB

Additional Information

Prototype ID

AB2C4_319_spg71

Decomposition

Er2UMn2 Er

Computed at

2025-04-18 15:25:16

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: agm017758833).

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 agm017758833
data_agm017758833
_cell_length_a     5.85387
_cell_length_b     5.85387
_cell_length_c     8.32603
_cell_angle_alpha  68.09773
_cell_angle_beta   111.90227
_cell_angle_gamma  140.72462
_cell_volume       165.84767
_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
  Er1 Er 0.88128 0.11872 0.57802 1.00000
  Er2 Er 0.11872 0.88128 0.42198 1.00000
  Er3 Er 0.66588 0.33412 0.80981 1.00000
  Er4 Er 0.33412 0.66588 0.19019 1.00000
  U1 U 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.39685 0.60315 0.85942 1.00000
  Mn2 Mn 0.60315 0.39685 0.14058 1.00000
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