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Sr(Ac2Ag)2

Alexandria ALEX

Alex-ID: agm096566682 · Space group: Pmm2 (#25)

Basic Information

Formula
Sr(Ac2Ag)2
Alex-ID
agm096566682
Elements
3
Sites
7
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
271.32
ų
Cell a
4.1768
Å
Cell b
5.6815
Å
Cell c
11.4331
Å
α angle
90.05
°
β angle
89.98
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr(Ac2Ag)2
Sr
1.00 · 14.3%
Ac
4.00 · 57.1%
Ag
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1369
eV/atom
Formation energy
-0.0289
eV/atom
Corrected total energy
-24.0280
eV
Raw total energy
-24.0280
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0242
eV
DOS at Fermi level
8.8188
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_1567_spg12

Decomposition

AcAg Ac SrAg

Computed at

2025-04-11 13:18:39

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: agm096566682).

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 agm096566682
data_agm096566682
_cell_length_a     4.17682
_cell_length_b     5.68150
_cell_length_c     11.43314
_cell_angle_alpha  90.05087
_cell_angle_beta   89.98371
_cell_angle_gamma  90.00406
_cell_volume       271.31561
_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 0.35751 0.92854 0.00937 1.00000
  Ac1 Ac 0.35676 0.42828 0.73949 1.00000
  Ac2 Ac 0.35744 0.92936 0.39786 1.00000
  Ac3 Ac 0.85694 0.92821 0.67244 1.00000
  Ac4 Ac 0.85778 0.42908 0.22629 1.00000
  Ag1 Ag 0.85669 0.42820 0.94934 1.00000
  Ag2 Ag 0.85688 0.42833 0.50521 1.00000
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