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Rb2PmSbTe4

Alexandria ALEX

Alex-ID: agm040369469 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
Rb2PmSbTe4
Alex-ID
agm040369469
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
313.49
ų
Cell a
8.0072
Å
Cell b
4.5878
Å
Cell c
8.9306
Å
α angle
90.00
°
β angle
107.15
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2PmSbTe4
Rb
2.00 · 25.0%
Pm
1.00 · 12.5%
Sb
1.00 · 12.5%
Te
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0086
eV/atom
Formation energy
-0.9554
eV/atom
Corrected total energy
-31.0180
eV
Raw total energy
-31.0180
eV

Electronic Structure

Indirect band gap
1.2244
eV
Direct band gap
1.2965
eV
DOS at Fermi level
-0.0018
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_907_spg6

Decomposition

Rb3Sb7Te12 Rb3SbTe3 RbPmTe2

Computed at

2025-01-16 01:26:54

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: agm040369469).

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 agm040369469
data_agm040369469
_cell_length_a     8.00724
_cell_length_b     4.58776
_cell_length_c     8.93062
_cell_angle_alpha  90.00000
_cell_angle_beta   107.14710
_cell_angle_gamma  90.00000
_cell_volume       313.48685
_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
  Rb1 Rb 0.50000 0.50000 0.50000 1.00000
  Rb2 Rb 0.00000 0.00000 0.50000 1.00000
  Pm1 Pm 0.00000 0.50000 0.00000 1.00000
  Sb1 Sb 0.50000 0.00000 0.00000 1.00000
  Te1 Te 0.27185 0.50000 0.80206 1.00000
  Te2 Te 0.72815 0.50000 0.19794 1.00000
  Te3 Te 0.23936 0.00000 0.20073 1.00000
  Te4 Te 0.76064 0.00000 0.79927 1.00000
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