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  1. Third-Parties
  2. MatprojStructure
  3. mp-685490

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-685490
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 95
  • Number of elements: 3
  • Element list: ['Hf', 'Sc', 'O']
  • Chemical System: Hf-O-Sc
  • Density: 6.6969037681356065
  • Atomic Density: 0.08445670579162645
  • Unit Cell Volume: 1124.836673530533
  • Molar Volume: 7.130447136853722
  • Full Formula: Hf15 Sc20 O60
  • Reduced Formula: Hf3Sc4O12
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -950.41406675
  • Final energy per atom: -10.004358597368421
  • 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.