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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220683

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-1220683
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Nb', 'Sn', 'O', 'F']
  • Chemical System: F-Nb-O-Sn
  • Density: 4.245726848763135
  • Atomic Density: 0.05316428451467711
  • Unit Cell Volume: 865.2425292641856
  • Molar Volume: 11.327418049494229
  • Full Formula: Nb2 Sn12 O2 F30
  • Reduced Formula: NbSn6OF15
  • Formula Anonymous: ABC6D15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -261.56732945
  • Final energy per atom: -5.686246292391304
  • 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.