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Cs19Ag

Alexandria ALEX

Alex-ID: agm067304511 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
Cs19Ag
Alex-ID
agm067304511
Elements
2
Sites
20
Space group
R-3 (#148)
Crystal system
trigonal
Volume
2,183.11
ų
Cell a
14.4319
Å
Cell b
14.4319
Å
Cell c
14.4319
Å
α angle
110.90
°
β angle
110.90
°
γ angle
110.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs19Ag
Cs
19.00 · 95.0%
Ag
1.00 · 5.0%

Energy & Stability

Energy above hull
0.0092
eV/atom
Formation energy
0.0092
eV/atom
Corrected total energy
-18.9389
eV
Raw total energy
-18.9389
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.5110
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB19_0_spg148

Decomposition

Ag Cs

Computed at

2025-01-25 11:16:20

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: agm067304511).

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 agm067304511
data_agm067304511
_cell_length_a     14.43190
_cell_length_b     14.43190
_cell_length_c     14.43190
_cell_angle_alpha  110.89858
_cell_angle_beta   110.89858
_cell_angle_gamma  110.89858
_cell_volume       2183.10684
_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
  Cs1 Cs 0.02600 0.28359 0.17952 1.00000
  Cs2 Cs 0.71641 0.82048 0.97400 1.00000
  Cs3 Cs 0.82048 0.97400 0.71641 1.00000
  Cs4 Cs 0.50000 0.50000 0.50000 1.00000
  Cs5 Cs 0.17952 0.02600 0.28359 1.00000
  Cs6 Cs 0.28359 0.17952 0.02600 1.00000
  Cs7 Cs 0.97400 0.71641 0.82048 1.00000
  Cs8 Cs 0.34089 0.76282 0.39479 1.00000
  Cs9 Cs 0.23718 0.60521 0.65911 1.00000
  Cs10 Cs 0.55290 0.07857 0.86803 1.00000
  Cs11 Cs 0.92143 0.13197 0.44710 1.00000
  Cs12 Cs 0.60521 0.65911 0.23718 1.00000
  Cs13 Cs 0.13197 0.44710 0.92143 1.00000
  Cs14 Cs 0.86803 0.55290 0.07857 1.00000
  Cs15 Cs 0.39479 0.34089 0.76282 1.00000
  Cs16 Cs 0.07857 0.86803 0.55290 1.00000
  Cs17 Cs 0.44710 0.92143 0.13197 1.00000
  Cs18 Cs 0.76282 0.39479 0.34089 1.00000
  Cs19 Cs 0.65911 0.23718 0.60521 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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