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Nd2Er5Cd

Alexandria ALEX

Alex-ID: agm003469729 · Space group: Cm (#8)

Basic Information

Formula
Nd2Er5Cd
Alex-ID
agm003469729
Elements
3
Sites
8
Space group
Cm (#8)
Crystal system
monoclinic
Volume
243.54
ų
Cell a
7.0438
Å
Cell b
8.3516
Å
Cell c
6.6284
Å
α angle
124.95
°
β angle
122.10
°
γ angle
89.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd2Er5Cd
Nd
2.00 · 25.0%
Er
5.00 · 62.5%
Cd
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0454
eV/atom
Formation energy
-0.0376
eV/atom
Corrected total energy
-33.5835
eV
Raw total energy
-33.5835
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.7009
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_421_spg107

Decomposition

NdEr2 Er2Cd Nd

Computed at

2022-05-02 15:22:53.103455

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: agm003469729).

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 agm003469729
data_agm003469729
_cell_length_a     7.04383
_cell_length_b     8.35161
_cell_length_c     6.62836
_cell_angle_alpha  124.95083
_cell_angle_beta   122.09844
_cell_angle_gamma  89.93950
_cell_volume       243.54087
_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
  Nd1 Nd 0.25293 0.81043 0.50490 1.00000
  Nd2 Nd 0.66974 0.12214 0.34402 1.00000
  Er1 Er 0.76455 0.30609 0.03040 1.00000
  Er2 Er 0.26404 0.30613 0.02645 1.00000
  Er3 Er 0.66937 0.63457 0.85938 1.00000
  Er4 Er 0.19137 0.63421 0.85901 1.00000
  Er5 Er 0.78091 0.81018 0.56080 1.00000
  Cd1 Cd 0.18409 0.15325 0.36904 1.00000
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