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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238095

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-1238095
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['Sn', 'H', 'S', 'N', 'O', 'F']
  • Chemical System: F-H-N-O-S-Sn
  • Density: 2.567149716876282
  • Atomic Density: 0.07367349942723998
  • Unit Cell Volume: 651.5232800554675
  • Molar Volume: 8.17409354356443
  • Full Formula: Sn4 H16 S4 N4 O16 F4
  • Reduced Formula: SnH4SNO4F
  • Formula Anonymous: ABCDE4F4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -271.05061675
  • Final energy per atom: -5.646887848958333
  • 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.