Navigation

HEAS Data Platform · Materials Science Database

Er2CdCoPd

Alexandria ALEX

Alex-ID: agm045017166 · Space group: P2_1/m (#11)

Basic Information

Formula
Er2CdCoPd
Alex-ID
agm045017166
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
208.90
ų
Cell a
3.9937
Å
Cell b
7.2872
Å
Cell c
7.8760
Å
α angle
65.70
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2CdCoPd
Er
4.00 · 40.0%
Cd
2.00 · 20.0%
Co
2.00 · 20.0%
Pd
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0235
eV/atom
Formation energy
-0.5271
eV/atom
Corrected total energy
-50.0028
eV
Raw total energy
-50.0028
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0108
eV
DOS at Fermi level
8.1332
Total magnetisation
1.0257
μB

Additional Information

Prototype ID

ABCD2_1539_spg11

Decomposition

ErCdCo ErPd

Computed at

2024-11-14 13:44:17.414468

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: agm045017166).

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 agm045017166
data_agm045017166
_cell_length_a     3.99370
_cell_length_b     7.28720
_cell_length_c     7.87596
_cell_angle_alpha  65.69506
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       208.89740
_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 0.75000 0.86605 0.88970 1.00000
  Er2 Er 0.75000 0.45075 0.71537 1.00000
  Er3 Er 0.25000 0.13395 0.11030 1.00000
  Er4 Er 0.25000 0.54925 0.28463 1.00000
  Cd1 Cd 0.25000 0.82991 0.56873 1.00000
  Cd2 Cd 0.75000 0.17009 0.43127 1.00000
  Co1 Co 0.25000 0.55810 0.93290 1.00000
  Co2 Co 0.75000 0.44190 0.06710 1.00000
  Pd1 Pd 0.25000 0.17336 0.69960 1.00000
  Pd2 Pd 0.75000 0.82664 0.30040 1.00000
Get direct link