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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173604

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-1173604
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Sm', 'O', 'F']
  • Chemical System: F-O-Sm
  • Density: 6.1646038213001235
  • Atomic Density: 0.06321657890059917
  • Unit Cell Volume: 822.569030218545
  • Molar Volume: 9.526204778447639
  • Full Formula: Sm16 O12 F24
  • Reduced Formula: Sm4(OF2)3
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -387.70612874
  • Final energy per atom: -7.455887091153846
  • 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.