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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228103

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-1228103
  • 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: 29
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Nb', 'V', 'O']
  • Chemical System: Ba-Na-Nb-O-V
  • Density: 5.112089566275974
  • Atomic Density: 0.062448869823269866
  • Unit Cell Volume: 464.37990122271106
  • Molar Volume: 9.64331424578642
  • Full Formula: Ba6 Na2 Nb2 V2 O17
  • Reduced Formula: Ba6Na2Nb2V2O17
  • Formula Anonymous: A2B2C2D6E17
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -224.03342942
  • Final energy per atom: -7.725290669655172
  • 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.