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  1. Third-Parties
  2. MatprojStructure
  3. mp-531956

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-531956
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 57
  • Number of elements: 3
  • Element list: ['Hf', 'Sc', 'O']
  • Chemical System: Hf-O-Sc
  • Density: 6.714029303592062
  • Atomic Density: 0.08467268116765797
  • Unit Cell Volume: 673.1805254534921
  • Molar Volume: 7.1122594406520925
  • Full Formula: Hf9 Sc12 O36
  • Reduced Formula: Hf3Sc4O12
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -570.4018899299999
  • Final energy per atom: -10.007050700526314
  • 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.