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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202821

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-1202821
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Sr', 'B', 'O', 'F']
  • Chemical System: B-F-O-Sr
  • Density: 3.592311634030773
  • Atomic Density: 0.0878568766169166
  • Unit Cell Volume: 500.8145257866807
  • Molar Volume: 6.8544899294091834
  • Full Formula: Sr6 B12 O22 F4
  • Reduced Formula: Sr3B6O11F2
  • Formula Anonymous: A2B3C6D11
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -348.86896851
  • Final energy per atom: -7.928840193409091
  • 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.