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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220179

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-1220179
  • 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: 28
  • Number of elements: 5
  • Element list: ['Nd', 'Ti', 'Nb', 'Bi', 'O']
  • Chemical System: Bi-Nb-Nd-O-Ti
  • Density: 7.336826814893978
  • Atomic Density: 0.07303293905466725
  • Unit Cell Volume: 383.3886512364126
  • Molar Volume: 8.245787226900802
  • Full Formula: Nd2 Ti2 Nb2 Bi4 O18
  • Reduced Formula: NdTiNbBi2O9
  • Formula Anonymous: ABCD2E9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -230.07451757
  • Final energy per atom: -8.21694705607143
  • 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.