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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224517

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-1224517
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Hf', 'Te', 'Pb', 'O']
  • Chemical System: Hf-O-Pb-Te
  • Density: 8.977612420678824
  • Atomic Density: 0.06679090574515102
  • Unit Cell Volume: 314.4140622995607
  • Molar Volume: 9.016408286149353
  • Full Formula: Hf3 Te1 Pb4 O13
  • Reduced Formula: Hf3TePb4O13
  • Formula Anonymous: AB3C4D13
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -167.26192932
  • Final energy per atom: -7.964853777142857
  • 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.