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  1. Third-Parties
  2. MatprojStructure
  3. mp-559831

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-559831
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Na', 'V', 'S', 'O']
  • Chemical System: Na-O-S-V
  • Density: 2.2761193647282343
  • Atomic Density: 0.05075777110591183
  • Unit Cell Volume: 1260.890669656411
  • Molar Volume: 11.86447046193995
  • Full Formula: Na24 V8 S16 O16
  • Reduced Formula: Na3V(SO)2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -360.55656522
  • Final energy per atom: -5.6336963315625
  • 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.