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  1. Third-Parties
  2. MatprojStructure
  3. mp-771043

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-771043
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Y', 'Zr', 'O']
  • Chemical System: O-Y-Zr
  • Density: 5.226472852471392
  • Atomic Density: 0.07331203284547498
  • Unit Cell Volume: 600.1743273541732
  • Molar Volume: 8.214396090602612
  • Full Formula: Y8 Zr8 O28
  • Reduced Formula: Y2Zr2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -427.8283854299999
  • Final energy per atom: -9.723372396136362
  • 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.