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  1. Third-Parties
  2. MatprojStructure
  3. mp-532562

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-532562
  • 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: 74
  • Number of elements: 5
  • Element list: ['K', 'Zr', 'Mn', 'Mo', 'O']
  • Chemical System: K-Mn-Mo-O-Zr
  • Density: 3.36394915982528
  • Atomic Density: 0.05680914965917116
  • Unit Cell Volume: 1302.607070233687
  • Molar Volume: 10.600652880970904
  • Full Formula: K10 Zr3 Mn1 Mo12 O48
  • Reduced Formula: K10Zr3Mn(MoO4)12
  • Formula Anonymous: AB3C10D12E48
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -586.1808925299999
  • Final energy per atom: -7.921363412567567
  • 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.