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  1. Third-Parties
  2. MatprojStructure
  3. mp-558613

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-558613
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['V', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-V
  • Density: 1.5968597592396185
  • Atomic Density: 0.09792638814816111
  • Unit Cell Volume: 776.0931597417151
  • Molar Volume: 6.149660856365492
  • Full Formula: V2 H32 C12 N12 O14 F4
  • Reduced Formula: VH16C6N6O7F2
  • Formula Anonymous: AB2C6D6E7F16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -487.54135708
  • Final energy per atom: -6.41501785631579
  • 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.