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  1. Third-Parties
  2. MatprojStructure
  3. mp-705900

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-705900
  • 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: ['Hf', 'Tl', 'Mo', 'Pb', 'O']
  • Chemical System: Hf-Mo-O-Pb-Tl
  • Density: 5.730108680483034
  • Atomic Density: 0.05426455461987347
  • Unit Cell Volume: 1363.6894381309223
  • Molar Volume: 11.097742904526658
  • Full Formula: Hf3 Tl10 Mo12 Pb1 O48
  • Reduced Formula: Hf3Tl10Mo12PbO48
  • Formula Anonymous: AB3C10D12E48
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -578.47174537
  • Final energy per atom: -7.817185748243244
  • 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.