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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203528

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-1203528
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'V', 'O']
  • Chemical System: Ba-K-O-V
  • Density: 2.7529837638648083
  • Atomic Density: 0.05418180709280664
  • Unit Cell Volume: 1070.4700177432856
  • Molar Volume: 11.114691596913385
  • Full Formula: K8 Ba2 V12 O36
  • Reduced Formula: K4BaV6O18
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -445.11437515
  • Final energy per atom: -7.674385778448276
  • 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.