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Sr4Bi11

Alexandria ALEX

Alex-ID: agm005223424 · Space group: P-1 (#2)

Basic Information

Formula
Sr4Bi11
Alex-ID
agm005223424
Elements
2
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
528.32
ų
Cell a
6.9120
Å
Cell b
8.8574
Å
Cell c
12.4349
Å
α angle
49.37
°
β angle
71.22
°
γ angle
88.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Bi11
Sr
4.00 · 26.7%
Bi
11.00 · 73.3%

Energy & Stability

Energy above hull
0.0811
eV/atom
Formation energy
-0.3914
eV/atom
Corrected total energy
-55.3199
eV
Raw total energy
-55.3199
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5680
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B11_11_spg2

Decomposition

SrBi2 Bi

Computed at

2023-05-07 02:00:32.493754

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: agm005223424).

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 agm005223424
data_agm005223424
_cell_length_a     6.91196
_cell_length_b     8.85743
_cell_length_c     12.43488
_cell_angle_alpha  49.36635
_cell_angle_beta   71.21612
_cell_angle_gamma  88.64145
_cell_volume       528.32206
_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
  Sr1 Sr 0.59886 0.17422 0.76385 1.00000
  Sr2 Sr 0.17662 0.82937 0.77150 1.00000
  Sr3 Sr 0.82338 0.17063 0.22850 1.00000
  Sr4 Sr 0.40114 0.82578 0.23615 1.00000
  Bi1 Bi 0.57833 0.34820 0.40162 1.00000
  Bi2 Bi 0.34226 0.33450 0.96420 1.00000
  Bi3 Bi 0.23247 0.10790 0.36260 1.00000
  Bi4 Bi 0.15037 0.34359 0.61755 1.00000
  Bi5 Bi 0.84638 0.43373 0.84444 1.00000
  Bi6 Bi 0.76753 0.89210 0.63740 1.00000
  Bi7 Bi 0.65774 0.66550 0.03580 1.00000
  Bi8 Bi 0.42167 0.65180 0.59838 1.00000
  Bi9 Bi 0.15362 0.56627 0.15556 1.00000
  Bi10 Bi 0.84963 0.65641 0.38245 1.00000
  Bi11 Bi 0.00000 0.00000 0.00000 1.00000
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