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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217004

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-1217004
  • 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: 38
  • Number of elements: 4
  • Element list: ['V', 'Fe', 'H', 'O']
  • Chemical System: Fe-H-O-V
  • Density: 3.837689095755106
  • Atomic Density: 0.08636152109598948
  • Unit Cell Volume: 440.0107769959679
  • Molar Volume: 6.973175881543917
  • Full Formula: V8 Fe4 H2 O24
  • Reduced Formula: V4Fe2HO12
  • Formula Anonymous: AB2C4D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -312.43146713000004
  • Final energy per atom: -8.22188071394737
  • 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.