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  1. Third-Parties
  2. MatprojStructure
  3. mp-736386

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-736386
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 5
  • Element list: ['V', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-V
  • Density: 1.5057587809027695
  • Atomic Density: 0.08487104750534251
  • Unit Cell Volume: 1885.21297548411
  • Molar Volume: 7.095636188089838
  • Full Formula: V4 H96 C16 N16 Cl28
  • Reduced Formula: VH24C4N4Cl7
  • Formula Anonymous: AB4C4D7E24
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -794.88759898
  • Final energy per atom: -4.968047493625
  • 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.