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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198563

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-1198563
  • 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: 292
  • Number of elements: 4
  • Element list: ['V', 'H', 'C', 'O']
  • Chemical System: C-H-O-V
  • Density: 1.6385736710086602
  • Atomic Density: 0.09117675804632684
  • Unit Cell Volume: 3202.5705482052235
  • Molar Volume: 6.604907751754185
  • Full Formula: V24 H144 C48 O76
  • Reduced Formula: V6H36C12O19
  • Formula Anonymous: A6B12C19D36
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1783.57979016
  • Final energy per atom: -6.10814996630137
  • 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.