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  1. Third-Parties
  2. MatprojStructure
  3. mp-695817

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-695817
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Sc', 'F']
  • Chemical System: F-Sc
  • Density: 3.8420554947901406
  • Atomic Density: 0.09077839906904356
  • Unit Cell Volume: 44.06334591732236
  • Molar Volume: 6.633891786767164
  • Full Formula: Sc1 F3
  • Reduced Formula: ScF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -25.80503831
  • Final energy per atom: -6.4512595775
  • 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.