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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179660

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-1179660
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Sn', 'C', 'N', 'O']
  • Chemical System: C-N-O-Sn
  • Density: 2.092958578385492
  • Atomic Density: 0.055835520396738475
  • Unit Cell Volume: 1934.252591049704
  • Molar Volume: 10.785501267311144
  • Full Formula: Sn8 C24 N8 O68
  • Reduced Formula: Sn2C6N2O17
  • Formula Anonymous: A2B2C6D17
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -723.34232347
  • Final energy per atom: -6.697614106203703
  • 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.