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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203718

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-1203718
  • 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: 84
  • Number of elements: 5
  • Element list: ['V', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-V
  • Density: 1.4112509045660981
  • Atomic Density: 0.07660984953166627
  • Unit Cell Volume: 1096.4647563402282
  • Molar Volume: 7.860791786976139
  • Full Formula: V4 H44 C12 Cl8 O16
  • Reduced Formula: VH11C3(ClO2)2
  • Formula Anonymous: AB2C3D4E11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -458.69327601
  • Final energy per atom: -5.460634238214285
  • 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.