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  1. Third-Parties
  2. MatprojStructure
  3. mp-24113

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-24113
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Sn', 'H', 'N', 'F']
  • Chemical System: F-H-N-Sn
  • Density: 2.6939803969720044
  • Atomic Density: 0.10261281570663533
  • Unit Cell Volume: 165.67131388931097
  • Molar Volume: 5.86879983609161
  • Full Formula: Sn1 H8 N2 F6
  • Reduced Formula: SnH8(NF3)2
  • Formula Anonymous: AB2C6D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -86.50442668
  • Final energy per atom: -5.088495687058823
  • 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.