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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220252

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-1220252
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Nd', 'Ti', 'O']
  • Chemical System: Nd-O-Ti
  • Density: 5.733347623338055
  • Atomic Density: 0.08037541186503085
  • Unit Cell Volume: 236.39070157308123
  • Molar Volume: 7.492516206464466
  • Full Formula: Nd3 Ti4 O12
  • Reduced Formula: Nd3Ti4O12
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -174.30607455
  • Final energy per atom: -9.17400392368421
  • 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.