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  1. Third-Parties
  2. MatprojStructure
  3. mp-1016213

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1016213
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Sn
  • Density: 3.2248698466708254
  • Atomic Density: 0.0793113977501766
  • Unit Cell Volume: 529.5581869871469
  • Molar Volume: 7.593033196778569
  • Full Formula: Sn6 H16 C4 N2 O14
  • Reduced Formula: Sn3H8C2NO7
  • Formula Anonymous: AB2C3D7E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -237.52833111
  • Final energy per atom: -5.655436455
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.