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  1. Third-Parties
  2. MatprojStructure
  3. mp-695506

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-695506
  • 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: 50
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Ti', 'Nb', 'O']
  • Chemical System: Ca-Na-Nb-O-Ti
  • Density: 3.9440513323061066
  • Atomic Density: 0.08228321130642353
  • Unit Cell Volume: 607.6573727026705
  • Molar Volume: 7.318796464534527
  • Full Formula: Na3 Ca7 Ti7 Nb3 O30
  • Reduced Formula: Na3Ca7Ti7Nb3O30
  • Formula Anonymous: A3B3C7D7E30
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -415.91735252
  • Final energy per atom: -8.3183470504
  • 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.