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  1. Third-Parties
  2. MatprojStructure
  3. mp-698397

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-698397
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 6
  • Element list: ['Sn', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Sn
  • Density: 1.6440317983371104
  • Atomic Density: 0.10435945246070169
  • Unit Cell Volume: 392.87289299873663
  • Molar Volume: 5.770575274211733
  • Full Formula: Sn1 H24 C6 N2 O2 F6
  • Reduced Formula: SnH24C6N2(OF3)2
  • Formula Anonymous: AB2C2D6E6F24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -214.77568466
  • Final energy per atom: -5.238431333170731
  • 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.