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Ce2PmDyTe4

Alexandria ALEX

Alex-ID: agm035203373 · Space group: Imma (#74)

Basic Information

Formula
Ce2PmDyTe4
Alex-ID
agm035203373
Elements
4
Sites
16
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
498.92
ų
Cell a
8.9028
Å
Cell b
8.9028
Å
Cell c
8.9028
Å
α angle
119.95
°
β angle
120.06
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2PmDyTe4
Ce
4.00 · 25.0%
Pm
2.00 · 12.5%
Dy
2.00 · 12.5%
Te
8.00 · 50.0%

Energy & Stability

Energy above hull
0.0058
eV/atom
Formation energy
-1.3631
eV/atom
Corrected total energy
-89.3868
eV
Raw total energy
-89.3868
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
31.0299
Total magnetisation
4.8300
μB

Additional Information

Prototype ID

ABC2D4_74_spg74

Decomposition

CePmTe2 Ce3PmTe4 DyTe

Computed at

2025-02-03 08:22:38

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: agm035203373).

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 agm035203373
data_agm035203373
_cell_length_a     8.90283
_cell_length_b     8.90283
_cell_length_c     8.90283
_cell_angle_alpha  119.94911
_cell_angle_beta   120.06301
_cell_angle_gamma  89.98953
_cell_volume       498.91694
_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
  Ce1 Ce 0.50000 0.50000 0.50000 1.00000
  Ce2 Ce 0.50000 0.00000 0.00000 1.00000
  Ce3 Ce 0.00000 0.00000 0.00000 1.00000
  Ce4 Ce 0.50000 0.00000 0.50000 1.00000
  Pm1 Pm 0.00000 0.00000 0.50000 1.00000
  Pm2 Pm 0.00000 0.50000 0.00000 1.00000
  Dy1 Dy 0.50000 0.50000 0.00000 1.00000
  Dy2 Dy 0.00000 0.50000 0.50000 1.00000
  Te1 Te 0.75499 0.25390 0.50109 1.00000
  Te2 Te 0.25282 0.25390 0.99891 1.00000
  Te3 Te 0.74718 0.74610 0.00109 1.00000
  Te4 Te 0.24501 0.74610 0.49891 1.00000
  Te5 Te 0.24945 0.25719 0.50774 1.00000
  Te6 Te 0.24945 0.74171 0.99226 1.00000
  Te7 Te 0.75055 0.25829 0.00774 1.00000
  Te8 Te 0.75055 0.74281 0.49226 1.00000
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