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  1. Third-Parties
  2. MatprojStructure
  3. mp-643797

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-643797
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['K', 'Hf', 'Mo', 'Pb', 'O']
  • Chemical System: Hf-K-Mo-O-Pb
  • Density: 3.7955985248555124
  • Atomic Density: 0.05540509642864079
  • Unit Cell Volume: 1335.6172043723195
  • Molar Volume: 10.869290278659182
  • Full Formula: K10 Hf3 Mo12 Pb1 O48
  • Reduced Formula: K10Hf3Mo12PbO48
  • Formula Anonymous: AB3C10D12E48
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -497.27364089
  • Final energy per atom: -6.719914066081081
  • 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.