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  1. Third-Parties
  2. MatprojStructure
  3. mp-542148

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-542148
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Sb', 'N', 'F']
  • Chemical System: F-N-Sb
  • Density: 2.900333256187919
  • Atomic Density: 0.06016655527096414
  • Unit Cell Volume: 1196.6781158692424
  • Molar Volume: 10.0091167474669
  • Full Formula: Sb8 N20 F44
  • Reduced Formula: Sb2N5F11
  • Formula Anonymous: A2B5C11
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -404.25635482
  • Final energy per atom: -5.614671594722222
  • 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.