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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208857

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-1208857
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Sm', 'B', 'O', 'F']
  • Chemical System: B-F-O-Sm
  • Density: 6.124275471903764
  • Atomic Density: 0.08252241632066587
  • Unit Cell Volume: 339.30174670598
  • Molar Volume: 7.297581709918849
  • Full Formula: Sm6 B4 O12 F6
  • Reduced Formula: Sm3B2(O2F)3
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -231.01670536999995
  • Final energy per atom: -8.250596620357141
  • 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.