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  1. Third-Parties
  2. MatprojStructure
  3. mp-721094

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-721094
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Ce', 'Ti', 'Nb', 'O']
  • Chemical System: Ca-Ce-Na-Nb-O-Ti
  • Density: 4.538792912271507
  • Atomic Density: 0.08212209789388276
  • Unit Cell Volume: 608.8495214115137
  • Molar Volume: 7.333155039197539
  • Full Formula: Na5 Ca2 Ce3 Ti8 Nb2 O30
  • Reduced Formula: Na5Ca2Ce3Ti8Nb2O30
  • Formula Anonymous: A2B2C3D5E8F30
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -424.66254315
  • Final energy per atom: -8.493250863
  • 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.