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  1. Third-Parties
  2. MatprojStructure
  3. mp-505074

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-505074
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['V', 'As', 'H', 'O']
  • Chemical System: As-H-O-V
  • Density: 3.2334468050327287
  • Atomic Density: 0.08931951552962143
  • Unit Cell Volume: 716.5287408973394
  • Molar Volume: 6.742245212920855
  • Full Formula: V4 As8 H16 O36
  • Reduced Formula: VAs2H4O9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -411.33576268
  • Final energy per atom: -6.427121291875
  • 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.