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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205471

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-1205471
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 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: 3.829268303490825
  • Atomic Density: 0.055896580793966685
  • Unit Cell Volume: 1323.8734632581918
  • Molar Volume: 10.773719384012864
  • 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: -585.79106679
  • Final energy per atom: -7.9160954971621615
  • 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.