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Rb(FeSb2)4

Alexandria ALEX

Alex-ID: agm097346409 · Space group: Pm (#6)

Basic Information

Formula
Rb(FeSb2)4
Alex-ID
agm097346409
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
327.56
ų
Cell a
3.9879
Å
Cell b
9.4308
Å
Cell c
9.9293
Å
α angle
118.70
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(FeSb2)4
Rb
1.00 · 7.7%
Fe
4.00 · 30.8%
Sb
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1091
eV/atom
Formation energy
0.0196
eV/atom
Corrected total energy
-67.5424
eV
Raw total energy
-67.5424
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
9.7318
Total magnetisation
4.7155
μB

Additional Information

Prototype ID

AB4C8_1748_spg6

Decomposition

FeSb2 Fe RbSb

Computed at

2025-06-15 06:31:56

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: agm097346409).

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 agm097346409
data_agm097346409
_cell_length_a     3.98794
_cell_length_b     9.43085
_cell_length_c     9.92931
_cell_angle_alpha  118.70062
_cell_angle_beta   89.99816
_cell_angle_gamma  90.00114
_cell_volume       327.55735
_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 0.19251 0.11562 0.12975 1.00000
  Fe1 Fe 0.69217 0.75760 0.44652 1.00000
  Fe2 Fe 0.19219 0.93793 0.54563 1.00000
  Fe3 Fe 0.19241 0.54154 0.98212 1.00000
  Fe4 Fe 0.19220 0.69205 0.56875 1.00000
  Sb1 Sb 0.69225 0.00120 0.39943 1.00000
  Sb2 Sb 0.69240 0.35982 0.98575 1.00000
  Sb3 Sb 0.19217 0.65217 0.26795 1.00000
  Sb4 Sb 0.19252 0.57655 0.74445 1.00000
  Sb5 Sb 0.69225 0.48084 0.44023 1.00000
  Sb6 Sb 0.19234 0.25247 0.72140 1.00000
  Sb7 Sb 0.69246 0.73648 0.03244 1.00000
  Sb8 Sb 0.69212 0.89573 0.73557 1.00000
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