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Sr2(AgH2)3

Alexandria ALEX

Alex-ID: agm007263634 · Space group: Immm (#71)

Basic Information

Formula
Sr2(AgH2)3
Alex-ID
agm007263634
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
161.74
ų
Cell a
6.7860
Å
Cell b
6.7860
Å
Cell c
7.2320
Å
α angle
57.79
°
β angle
57.79
°
γ angle
35.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2(AgH2)3
Sr
2.00 · 18.2%
Ag
3.00 · 27.3%
H
6.00 · 54.5%

Energy & Stability

Energy above hull
0.0827
eV/atom
Formation energy
-0.2675
eV/atom
Corrected total energy
-34.3135
eV
Raw total energy
-34.3135
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0888
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C6_721_spg71

Decomposition

SrH10 Ag SrH2

Computed at

2024-05-29 07:44:48.774809

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: agm007263634).

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 agm007263634
data_agm007263634
_cell_length_a     6.78599
_cell_length_b     6.78599
_cell_length_c     7.23200
_cell_angle_alpha  57.79187
_cell_angle_beta   57.79187
_cell_angle_gamma  35.89770
_cell_volume       161.74459
_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 0.77411 0.77411 0.72630 1.00000
  Sr2 Sr 0.22589 0.22589 0.27370 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.49962 0.49962 0.29293 1.00000
  Ag3 Ag 0.50038 0.50038 0.70707 1.00000
  H1 H 0.84100 0.84100 0.15637 1.00000
  H2 H 0.33825 0.33825 0.46812 1.00000
  H3 H 0.33898 0.33898 0.85425 1.00000
  H4 H 0.15900 0.15900 0.84363 1.00000
  H5 H 0.66175 0.66175 0.53188 1.00000
  H6 H 0.66102 0.66102 0.14575 1.00000
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