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Rb2La(AgTe2)2

Alexandria ALEX

Alex-ID: agm004564008 · Space group: C2/m (#12)

Basic Information

Formula
Rb2La(AgTe2)2
Alex-ID
agm004564008
Elements
4
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
322.61
ų
Cell a
4.5419
Å
Cell b
8.9230
Å
Cell c
8.7128
Å
α angle
108.18
°
β angle
105.11
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2La(AgTe2)2
Rb
2.00 · 22.2%
La
1.00 · 11.1%
Ag
2.00 · 22.2%
Te
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0230
eV/atom
Formation energy
-0.8877
eV/atom
Corrected total energy
-33.1207
eV
Raw total energy
-33.1207
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2438
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D4_0_spg12

Decomposition

Rb2LaAg3Te4 Rb2Te5 RbLaTe2 RbAgTe

Computed at

2022-06-19 20:08:01.659132

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: agm004564008).

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 agm004564008
data_agm004564008
_cell_length_a     4.54190
_cell_length_b     8.92300
_cell_length_c     8.71281
_cell_angle_alpha  108.17767
_cell_angle_beta   105.10834
_cell_angle_gamma  90.00000
_cell_volume       322.61370
_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 0.13092 0.56181 0.26184 1.00000
  Rb2 Rb 0.86908 0.43819 0.73816 1.00000
  La1 La 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.68019 0.98544 0.36038 1.00000
  Ag2 Ag 0.31981 0.01456 0.63962 1.00000
  Te1 Te 0.20192 0.19032 0.40384 1.00000
  Te2 Te 0.79808 0.80968 0.59616 1.00000
  Te3 Te 0.51672 0.75639 0.03344 1.00000
  Te4 Te 0.48328 0.24361 0.96656 1.00000
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