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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225024

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-1225024
  • 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: 88
  • Number of elements: 5
  • Element list: ['La', 'Sc', 'Ti', 'Nb', 'O']
  • Chemical System: La-Nb-O-Sc-Ti
  • Density: 5.609498324702816
  • Atomic Density: 0.07490696203023015
  • Unit Cell Volume: 1174.790668516044
  • Molar Volume: 8.039494056066042
  • Full Formula: La16 Sc2 Ti12 Nb2 O56
  • Reduced Formula: La8ScTi6NbO28
  • Formula Anonymous: ABC6D8E28
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -814.5963144
  • Final energy per atom: -9.2567763
  • 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.