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  1. Third-Parties
  2. MatprojStructure
  3. mp-39843

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-39843
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Na', 'V', 'O', 'F']
  • Chemical System: F-K-Na-O-V
  • Density: 2.900454025981412
  • Atomic Density: 0.06638412079835733
  • Unit Cell Volume: 602.553736028237
  • Molar Volume: 9.071658534564818
  • Full Formula: K8 Na4 V4 O4 F20
  • Reduced Formula: K2NaVOF5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -229.84633414
  • Final energy per atom: -5.7461583535
  • 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.