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  1. Third-Parties
  2. MatprojStructure
  3. mp-769565

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-769565
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Na', 'V', 'P', 'C', 'O']
  • Chemical System: C-Na-O-P-V
  • Density: 2.6858771388696563
  • Atomic Density: 0.07705270356590069
  • Unit Cell Volume: 622.9502376765683
  • Molar Volume: 7.815612537007813
  • Full Formula: Na8 V4 P4 C4 O28
  • Reduced Formula: Na2VPCO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -360.60208262
  • Final energy per atom: -7.512543387916666
  • 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.