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  1. Third-Parties
  2. MatprojStructure
  3. mp-727288

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-727288
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 6
  • Element list: ['V', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-V
  • Density: 1.743376876878725
  • Atomic Density: 0.10236342959402435
  • Unit Cell Volume: 1719.3640414161575
  • Molar Volume: 5.883097883574188
  • Full Formula: V4 H80 C8 S8 N24 O52
  • Reduced Formula: VH20C2S2N6O13
  • Formula Anonymous: AB2C2D6E13F20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1067.2179879
  • Final energy per atom: -6.063738567613637
  • 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.