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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045605

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-1045605
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Y', 'Cu', 'O']
  • Chemical System: Cu-O-Y
  • Density: 6.160851072416137
  • Atomic Density: 0.1022473657661758
  • Unit Cell Volume: 195.604061289334
  • Molar Volume: 5.889775951560183
  • Full Formula: Y1 Cu7 O12
  • Reduced Formula: YCu7O12
  • Formula Anonymous: AB7C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -119.62197267
  • Final energy per atom: -5.9810986335
  • 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.