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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-735553
  • 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: 148
  • Number of elements: 6
  • Element list: ['V', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-V
  • Density: 2.301369174796623
  • Atomic Density: 0.09658797948586
  • Unit Cell Volume: 1532.2817682677219
  • Molar Volume: 6.234876008439137
  • Full Formula: V12 P8 H48 C12 N8 O60
  • Reduced Formula: V3P2H12C3N2O15
  • Formula Anonymous: A2B2C3D3E12F15
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -982.97287685
  • Final energy per atom: -6.641708627364865
  • 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.