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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173397

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-1173397
  • 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: 22
  • Number of elements: 3
  • Element list: ['Sc', 'Nb', 'O']
  • Chemical System: Nb-O-Sc
  • Density: 4.280700555553668
  • Atomic Density: 0.08345906479974927
  • Unit Cell Volume: 263.60228278122395
  • Molar Volume: 7.215682052572069
  • Full Formula: Sc6 Nb2 O14
  • Reduced Formula: Sc3NbO7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -206.50059378
  • Final energy per atom: -9.386390626363637
  • 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.