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AgSbSeBr

Alexandria ALEX

Alex-ID: agm005192012 · Space group: Cm (#8)

Basic Information

Formula
AgSbSeBr
Alex-ID
agm005192012
Elements
4
Sites
4
Space group
Cm (#8)
Crystal system
monoclinic
Volume
106.65
ų
Cell a
5.5157
Å
Cell b
4.0612
Å
Cell c
6.7472
Å
α angle
78.33
°
β angle
90.00
°
γ angle
132.77
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgSbSeBr
Ag
1.00 · 25.0%
Sb
1.00 · 25.0%
Se
1.00 · 25.0%
Br
1.00 · 25.0%

Energy & Stability

Energy above hull
0.1763
eV/atom
Formation energy
-0.1506
eV/atom
Corrected total energy
-12.7394
eV
Raw total energy
-12.7394
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.7121
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_125_spg107

Decomposition

SbSeBr Ag

Computed at

2022-07-10 17:56:19.221810

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: agm005192012).

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 agm005192012
data_agm005192012
_cell_length_a     5.51565
_cell_length_b     4.06122
_cell_length_c     6.74716
_cell_angle_alpha  78.33275
_cell_angle_beta   90.00000
_cell_angle_gamma  132.77048
_cell_volume       106.65447
_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
  Ag1 Ag 0.93709 0.87418 0.60263 1.00000
  Sb1 Sb 0.71224 0.42448 0.03375 1.00000
  Se1 Se 0.08836 0.17672 0.17330 1.00000
  Br1 Br 0.42851 0.85702 0.60727 1.00000
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