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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101177

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-1101177
  • 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: 11
  • Number of elements: 3
  • Element list: ['Y', 'Hf', 'O']
  • Chemical System: Hf-O-Y
  • Density: 5.899702594987712
  • Atomic Density: 0.060424364152947316
  • Unit Cell Volume: 182.04577167178107
  • Molar Volume: 9.966411470638965
  • Full Formula: Y2 Hf2 O7
  • Reduced Formula: Y2Hf2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -110.9369283
  • Final energy per atom: -10.085175300000001
  • 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.