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  1. Third-Parties
  2. MatprojStructure
  3. mp-774815

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-774815
  • 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: 80
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'V', 'O']
  • Chemical System: Li-Na-O-V
  • Density: 2.8261813764022987
  • Atomic Density: 0.0740576914139712
  • Unit Cell Volume: 1080.2389120234952
  • Molar Volume: 8.13168847829343
  • Full Formula: Na9 Li7 V16 O48
  • Reduced Formula: Na9Li7V16O48
  • Formula Anonymous: A7B9C16D48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -599.25304843
  • Final energy per atom: -7.490663105375001
  • 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.