Ag(SnH4)3

Alexandria ALEX

Alex-ID: agm006399092 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula

Ag(SnH4)3

Alex-ID

agm006399092

Elements

Sites

Space group

P2_1/m (#11)

Crystal system

monoclinic

Volume

482.41

Å³

Cell a

5.9188

Cell b

9.0295

Cell c

9.9246

α angle

114.56

β angle

90.02

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ag(SnH4)3

2.00 · 6.3%

6.00 · 18.8%

24.00 · 75.0%

Energy & Stability

Energy above hull

0.2531

eV/atom

Formation energy

0.2322

eV/atom

Corrected total energy

-100.0420

Raw total energy

-100.0420

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0005

DOS at Fermi level

1.4247

Total magnetisation

-0.0001

μB

Additional Information

Prototype ID

AB3C12_0_spg176

Decomposition

SnH2 Ag H2

Computed at

2024-08-13 16:04:23.986026

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: agm006399092).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm006399092
data_agm006399092
_cell_length_a     5.91883
_cell_length_b     9.02950
_cell_length_c     9.92455
_cell_angle_alpha  114.56257
_cell_angle_beta   90.02323
_cell_angle_gamma  89.99780
_cell_volume       482.41112
_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 0.75005 0.67770 0.30616 1.00000
  Ag2 Ag 0.24995 0.32230 0.69384 1.00000
  Sn1 Sn 0.25016 0.84927 0.56740 1.00000
  Sn2 Sn 0.24990 0.72468 0.09045 1.00000
  Sn3 Sn 0.25002 0.39069 0.27778 1.00000
  Sn4 Sn 0.74998 0.60931 0.72222 1.00000
  Sn5 Sn 0.75010 0.27532 0.90955 1.00000
  Sn6 Sn 0.74984 0.15073 0.43260 1.00000
  H1 H 0.25021 0.80647 0.72314 1.00000
  H2 H 0.74998 0.93676 0.37244 1.00000
  H3 H 0.50178 0.76465 0.46271 1.00000
  H4 H 0.99845 0.76460 0.46268 1.00000
  H5 H 0.75000 0.56999 0.53601 1.00000
  H6 H 0.00052 0.74534 0.19583 1.00000
  H7 H 0.49928 0.74537 0.19596 1.00000
  H8 H 0.24999 0.85563 0.00343 1.00000
  H9 H 0.49729 0.48300 0.24821 1.00000
  H10 H 0.00271 0.48302 0.24820 1.00000
  H11 H 0.75015 0.81770 0.82540 1.00000
  H12 H 0.25002 0.52641 0.95373 1.00000
  H13 H 0.74998 0.47359 0.04627 1.00000
  H14 H 0.24985 0.18230 0.17460 1.00000
  H15 H 0.99729 0.51698 0.75180 1.00000
  H16 H 0.50271 0.51700 0.75179 1.00000
  H17 H 0.75001 0.14437 0.99657 1.00000
  H18 H 0.50072 0.25463 0.80404 1.00000
  H19 H 0.99948 0.25466 0.80417 1.00000
  H20 H 0.25000 0.43001 0.46399 1.00000
  H21 H 0.49822 0.23535 0.53729 1.00000
  H22 H 0.00155 0.23540 0.53732 1.00000
  H23 H 0.25002 0.06324 0.62756 1.00000
  H24 H 0.74979 0.19353 0.27686 1.00000

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