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SrBe4Ag

Alexandria ALEX

Alex-ID: agm005452703 · Space group: F-43m (#216)

Basic Information

Formula
SrBe4Ag
Alex-ID
agm005452703
Elements
3
Sites
6
Space group
F-43m (#216)
Crystal system
cubic
Volume
87.09
ų
Cell a
4.9755
Å
Cell b
4.9755
Å
Cell c
4.9755
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrBe4Ag
Sr
1.00 · 16.7%
Be
4.00 · 66.7%
Ag
1.00 · 16.7%

Energy & Stability

Energy above hull
0.5185
eV/atom
Formation energy
0.3952
eV/atom
Corrected total energy
-17.0742
eV
Raw total energy
-17.0742
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4467
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

SrBe13 SrAg2 SrAg

Computed at

2023-03-18 07:18:24.399162

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: agm005452703).

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 agm005452703
data_agm005452703
_cell_length_a     4.97548
_cell_length_b     4.97548
_cell_length_c     4.97548
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       87.09426
_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 0.75000 0.75000 0.75000 1.00000
  Be1 Be 0.90024 0.36659 0.36659 1.00000
  Be2 Be 0.36659 0.36659 0.90024 1.00000
  Be3 Be 0.36659 0.90024 0.36659 1.00000
  Be4 Be 0.36659 0.36659 0.36659 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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