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  1. Third-Parties
  2. MatprojStructure
  3. mp-777414

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-777414
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'V', 'O']
  • Chemical System: Li-Na-O-V
  • Density: 2.800304301585433
  • Atomic Density: 0.07199696851985465
  • Unit Cell Volume: 1388.9473689773886
  • Molar Volume: 8.364436564213491
  • Full Formula: Na14 Li6 V20 O60
  • Reduced Formula: Na7Li3V10O30
  • Formula Anonymous: A3B7C10D30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -746.92793307
  • Final energy per atom: -7.4692793307
  • 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.