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Pm4Er3Cd4

Alexandria ALEX

Alex-ID: agm003378052 · Space group: Immm (#71)

Basic Information

Formula
Pm4Er3Cd4
Alex-ID
agm003378052
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
322.90
ų
Cell a
3.5453
Å
Cell b
9.2874
Å
Cell c
10.9946
Å
α angle
114.98
°
β angle
99.28
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Er3Cd4
Pm
4.00 · 36.4%
Er
3.00 · 27.3%
Cd
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1156
eV/atom
Formation energy
-0.1187
eV/atom
Corrected total energy
-37.6915
eV
Raw total energy
-37.6915
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.7544
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_23_spg71

Decomposition

PmErCd PmCd

Computed at

2022-02-09 02:31:51.515056

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: agm003378052).

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 agm003378052
data_agm003378052
_cell_length_a     3.54525
_cell_length_b     9.28739
_cell_length_c     10.99460
_cell_angle_alpha  114.98377
_cell_angle_beta   99.27812
_cell_angle_gamma  90.00000
_cell_volume       322.90297
_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
  Pm1 Pm 0.34297 0.16641 0.68595 1.00000
  Pm2 Pm 0.65703 0.48046 0.31405 1.00000
  Pm3 Pm 0.65703 0.83359 0.31405 1.00000
  Pm4 Pm 0.34297 0.51954 0.68595 1.00000
  Er1 Er 0.09664 0.09664 0.19328 1.00000
  Er2 Er 0.90336 0.90336 0.80672 1.00000
  Er3 Er 0.00000 0.50000 0.00000 1.00000
  Cd1 Cd 0.27210 0.77210 0.54420 1.00000
  Cd2 Cd 0.72790 0.22790 0.45580 1.00000
  Cd3 Cd 0.50000 0.79171 1.00000 1.00000
  Cd4 Cd 0.50000 0.20829 0.00000 1.00000
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