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  1. Third-Parties
  2. MatprojStructure
  3. mp-555798

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-555798
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['V', 'Hg', 'P', 'O']
  • Chemical System: Hg-O-P-V
  • Density: 6.22204180627116
  • Atomic Density: 0.05659889488829196
  • Unit Cell Volume: 1130.7641275737883
  • Molar Volume: 10.640032410324922
  • Full Formula: V4 Hg16 P8 O36
  • Reduced Formula: VHg4P2O9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -383.96549071
  • Final energy per atom: -5.99946079234375
  • 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.