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  1. Third-Parties
  2. MatprojStructure
  3. mp-1013750

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-1013750
  • 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: 22
  • Number of elements: 3
  • Element list: ['Sn', 'S', 'F']
  • Chemical System: F-S-Sn
  • Density: 4.248491913317467
  • Atomic Density: 0.045327308095909444
  • Unit Cell Volume: 485.3586264917723
  • Molar Volume: 13.28589985369872
  • Full Formula: Sn8 S2 F12
  • Reduced Formula: Sn4SF6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -111.31629151
  • Final energy per atom: -5.059831432272727
  • 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.