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  1. Third-Parties
  2. MatprojStructure
  3. mp-560484

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-560484
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['V', 'P', 'C', 'N', 'Cl', 'F']
  • Chemical System: C-Cl-F-N-P-V
  • Density: 1.9806851148260147
  • Atomic Density: 0.057044447550268745
  • Unit Cell Volume: 841.4491166331554
  • Molar Volume: 10.556927130713582
  • Full Formula: V2 P4 C8 N6 Cl4 F24
  • Reduced Formula: VP2C4N3(ClF6)2
  • Formula Anonymous: AB2C2D3E4F12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -287.89020736000003
  • Final energy per atom: -5.997712653333334
  • 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.