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  1. Third-Parties
  2. MatprojStructure
  3. mp-601182

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-601182
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['V', 'H', 'C', 'O']
  • Chemical System: C-H-O-V
  • Density: 2.1082101608685044
  • Atomic Density: 0.09431750312410113
  • Unit Cell Volume: 551.329268455924
  • Molar Volume: 6.38496626874885
  • Full Formula: V4 H16 C8 O24
  • Reduced Formula: VH4(CO3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -359.6399347
  • Final energy per atom: -6.916152590384616
  • 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.