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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-601242
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 5
  • Element list: ['K', 'V', 'H', 'C', 'O']
  • Chemical System: C-H-K-O-V
  • Density: 1.9833175808806671
  • Atomic Density: 0.07345357325647398
  • Unit Cell Volume: 2178.246651682096
  • Molar Volume: 8.19856746651767
  • Full Formula: K16 V8 H32 C32 O72
  • Reduced Formula: K2VH4C4O9
  • Formula Anonymous: AB2C4D4E9
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1102.54548403
  • Final energy per atom: -6.890909275187499
  • 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.