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  1. Third-Parties
  2. MatprojStructure
  3. mp-559525

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-559525
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'O']
  • Chemical System: K-Mo-O
  • Density: 2.8158873846228847
  • Atomic Density: 0.06173940386415541
  • Unit Cell Volume: 1069.0093500938094
  • Molar Volume: 9.754128454577334
  • Full Formula: K12 Mo6 O48
  • Reduced Formula: K2MoO8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -384.59983803
  • Final energy per atom: -5.827270273181818
  • 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.