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  1. Third-Parties
  2. MatprojStructure
  3. mp-562114

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-562114
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['V', 'Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O-V
  • Density: 2.383218614928194
  • Atomic Density: 0.0809406447407848
  • Unit Cell Volume: 938.9596567137884
  • Molar Volume: 7.440193711436464
  • Full Formula: V8 Co4 H16 C16 N8 O24
  • Reduced Formula: V2CoH4C4(NO3)2
  • Formula Anonymous: AB2C2D4E4F6
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -564.51908073
  • Final energy per atom: -7.427882641184211
  • 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.