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  1. Third-Parties
  2. MatprojStructure
  3. mp-818268

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-818268
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['K', 'V', 'P', 'O', 'F']
  • Chemical System: F-K-O-P-V
  • Density: 2.7719092144154565
  • Atomic Density: 0.06813934595260734
  • Unit Cell Volume: 645.7355788328688
  • Molar Volume: 8.837978521526393
  • Full Formula: K4 V6 P4 O26 F4
  • Reduced Formula: K2V3P2O13F2
  • Formula Anonymous: A2B2C2D3E13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -321.69664145
  • Final energy per atom: -7.311287305681819
  • 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.