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TbCe2PrTe4

Alexandria ALEX

Alex-ID: agm094691308 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
TbCe2PrTe4
Alex-ID
agm094691308
Elements
4
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
252.33
ų
Cell a
7.7464
Å
Cell b
4.4211
Å
Cell c
7.7811
Å
α angle
90.00
°
β angle
108.76
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCe2PrTe4
Tb
1.00 · 12.5%
Ce
2.00 · 25.0%
Pr
1.00 · 12.5%
Te
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0059
eV/atom
Formation energy
-1.3767
eV/atom
Corrected total energy
-44.8640
eV
Raw total energy
-44.8640
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0042
eV
DOS at Fermi level
15.7770
Total magnetisation
2.3337
μB

Additional Information

Prototype ID

ABC2D4_305_spg10

Decomposition

Ce3PrTe4 TbPrTe2 TbTe

Computed at

2025-07-01 12:44:05

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: agm094691308).

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 agm094691308
data_agm094691308
_cell_length_a     7.74643
_cell_length_b     4.42113
_cell_length_c     7.78110
_cell_angle_alpha  90.00000
_cell_angle_beta   108.76145
_cell_angle_gamma  90.00000
_cell_volume       252.32726
_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
  Tb1 Tb 0.00000 0.00000 0.00000 1.00000
  Ce1 Ce 0.00000 0.50000 0.50000 1.00000
  Ce2 Ce 0.50000 0.50000 0.00000 1.00000
  Pr1 Pr 0.50000 0.00000 0.50000 1.00000
  Te1 Te 0.75430 0.00000 0.24577 1.00000
  Te2 Te 0.24570 0.00000 0.75423 1.00000
  Te3 Te 0.75854 0.50000 0.75856 1.00000
  Te4 Te 0.24146 0.50000 0.24144 1.00000
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