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  1. Third-Parties
  2. MatprojStructure
  3. mp-768103

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-768103
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Na', 'V', 'P', 'C', 'O']
  • Chemical System: C-Na-O-P-V
  • Density: 2.4297695175345453
  • Atomic Density: 0.07031386915899743
  • Unit Cell Volume: 625.7655925675898
  • Molar Volume: 8.564655639106446
  • Full Formula: Na4 V4 P4 C4 O28
  • Reduced Formula: NaVPCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -342.46150439
  • Final energy per atom: -7.783216008863636
  • 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.