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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-698252
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 7
  • Element list: ['K', 'V', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-K-N-O-V
  • Density: 1.6949453055002972
  • Atomic Density: 0.05772190126533541
  • Unit Cell Volume: 1732.4446667188088
  • Molar Volume: 10.433025641891955
  • Full Formula: K4 V8 H8 C32 N8 O20 F20
  • Reduced Formula: KV2H2C8N2(OF)5
  • Formula Anonymous: AB2C2D2E5F5G8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -650.64347648
  • Final energy per atom: -6.5064347648
  • 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.