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  1. Third-Parties
  2. MatprojStructure
  3. mp-997599

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-997599
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Na', 'Ta', 'V', 'O']
  • Chemical System: Na-O-Ta-V
  • Density: 6.305434910812775
  • Atomic Density: 0.08055711703451626
  • Unit Cell Volume: 496.5420992270766
  • Molar Volume: 7.475616037028358
  • Full Formula: Na8 Ta7 V1 O24
  • Reduced Formula: Na8Ta7VO24
  • Formula Anonymous: AB7C8D24
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -339.13314465
  • Final energy per atom: -8.47832861625
  • 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.