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Er4Cd2In5

Alexandria ALEX

Alex-ID: agm005657974 · Space group: P2/m (#10)

Basic Information

Formula
Er4Cd2In5
Alex-ID
agm005657974
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
279.24
ų
Cell a
3.4569
Å
Cell b
7.9453
Å
Cell c
10.2001
Å
α angle
94.65
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4Cd2In5
Er
4.00 · 36.4%
Cd
2.00 · 18.2%
In
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0477
eV/atom
Formation energy
-0.3358
eV/atom
Corrected total energy
-37.6403
eV
Raw total energy
-37.6403
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.7866
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_19_spg10

Decomposition

Er6CdIn5 Er3In5 ErCdIn

Computed at

2023-06-21 11:02:37.103574

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: agm005657974).

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 agm005657974
data_agm005657974
_cell_length_a     3.45694
_cell_length_b     7.94535
_cell_length_c     10.20005
_cell_angle_alpha  94.65093
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       279.23822
_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 0.50000 0.71976 0.56151 1.00000
  Er2 Er 0.50000 0.17368 0.88937 1.00000
  Er3 Er 0.50000 0.28024 0.43849 1.00000
  Er4 Er 0.50000 0.82632 0.11063 1.00000
  Cd1 Cd 0.00000 0.06237 0.63399 1.00000
  Cd2 Cd 0.00000 0.93763 0.36601 1.00000
  In1 In 0.00000 0.56381 0.30223 1.00000
  In2 In 0.00000 0.18335 0.16366 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  In4 In 0.00000 0.81665 0.83634 1.00000
  In5 In 0.00000 0.43619 0.69777 1.00000
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