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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220529

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-1220529
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 59
  • Number of elements: 4
  • Element list: ['Nd', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-Nd-O-Ti
  • Density: 5.363952524273073
  • Atomic Density: 0.09478141677705212
  • Unit Cell Volume: 622.4848921469668
  • Molar Volume: 6.353714646580428
  • Full Formula: Nd2 Ti12 Cu9 O36
  • Reduced Formula: Nd2Ti12(CuO4)9
  • Formula Anonymous: A2B9C12D36
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -479.5662904400001
  • Final energy per atom: -8.128242210847459
  • 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.