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  1. Third-Parties
  2. MatprojStructure
  3. mp-555127

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-555127
  • 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: 92
  • Number of elements: 4
  • Element list: ['K', 'Ca', 'V', 'O']
  • Chemical System: Ca-K-O-V
  • Density: 3.0821408837964674
  • Atomic Density: 0.06860931297761766
  • Unit Cell Volume: 1340.9258307252408
  • Molar Volume: 8.777439240594926
  • Full Formula: K2 Ca20 V14 O56
  • Reduced Formula: KCa10V7O28
  • Formula Anonymous: AB7C10D28
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -721.6991626900001
  • Final energy per atom: -7.844556116195653
  • 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.