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  1. Third-Parties
  2. MatprojStructure
  3. mp-1239185

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-1239185
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'V', 'P', 'O', 'F']
  • Chemical System: F-K-O-P-V
  • Density: 2.9507310421476927
  • Atomic Density: 0.06968190013810482
  • Unit Cell Volume: 918.4594546525901
  • Molar Volume: 8.642331434798024
  • Full Formula: K8 V8 P8 O32 F8
  • Reduced Formula: KVPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -480.93055096
  • Final energy per atom: -7.51453985875
  • 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.