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  1. Third-Parties
  2. MatprojStructure
  3. mp-560592

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-560592
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['V', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-V
  • Density: 2.233026610465205
  • Atomic Density: 0.09082945808175558
  • Unit Cell Volume: 462.40504883554195
  • Molar Volume: 6.630162600529304
  • Full Formula: V6 H16 C4 N2 O14
  • Reduced Formula: V3H8C2NO7
  • Formula Anonymous: AB2C3D7E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -286.06562164
  • Final energy per atom: -6.81108622952381
  • 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.