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Er2In2Cu

Alexandria ALEX

Alex-ID: agm033268574 · Space group: Amm2 (#38)

Basic Information

Formula
Er2In2Cu
Alex-ID
agm033268574
Elements
3
Sites
5
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
116.70
ų
Cell a
7.6232
Å
Cell b
7.6232
Å
Cell c
3.5137
Å
α angle
90.00
°
β angle
90.00
°
γ angle
145.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2In2Cu
Er
2.00 · 40.0%
In
2.00 · 40.0%
Cu
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0609
eV/atom
Formation energy
-0.3426
eV/atom
Corrected total energy
-20.5380
eV
Raw total energy
-20.5380
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.5894
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_114_spg10

Decomposition

Er3In5 Er11In9Cu4 ErInCu

Computed at

2025-04-16 14:18:49

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: agm033268574).

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 agm033268574
data_agm033268574
_cell_length_a     7.62316
_cell_length_b     7.62316
_cell_length_c     3.51370
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  145.14225
_cell_volume       116.70303
_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 0.30974 0.69026 0.50000 1.00000
  Er2 Er 0.07149 0.92851 0.50000 1.00000
  In1 In 0.69842 0.30158 0.00000 1.00000
  In2 In 0.48623 0.51377 0.00000 1.00000
  Cu1 Cu 0.89061 0.10939 0.00000 1.00000
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