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  1. Third-Parties
  2. MatprojStructure
  3. mp-4574

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-4574
  • 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: 12
  • Number of elements: 3
  • Element list: ['Yb', 'Ta', 'O']
  • Chemical System: O-Ta-Yb
  • Density: 8.93363931079538
  • Atomic Density: 0.07722703685391823
  • Unit Cell Volume: 155.38599548625777
  • Molar Volume: 7.797969474591408
  • Full Formula: Yb2 Ta2 O8
  • Reduced Formula: YbTaO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -104.86334771999998
  • Final energy per atom: -8.738612309999999
  • 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.