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  1. Third-Parties
  2. MatprojStructure
  3. mp-1016212

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-1016212
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Sn
  • Density: 3.5352174425589986
  • Atomic Density: 0.0766132356893591
  • Unit Cell Volume: 939.7853954626819
  • Molar Volume: 7.860444355095189
  • Full Formula: Sn12 H24 C4 N4 O28
  • Reduced Formula: Sn3H6CNO7
  • Formula Anonymous: ABC3D6E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -413.7221269
  • Final energy per atom: -5.746140651388888
  • 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.