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  1. Third-Parties
  2. MatprojStructure
  3. mp-1100937

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-1100937
  • 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: 78
  • Number of elements: 3
  • Element list: ['Y', 'Ta', 'O']
  • Chemical System: O-Ta-Y
  • Density: 6.386628289612703
  • Atomic Density: 0.07452105079383739
  • Unit Cell Volume: 1046.6841136712783
  • Molar Volume: 8.08112700485164
  • Full Formula: Y20 Ta8 O50
  • Reduced Formula: Y10Ta4O25
  • Formula Anonymous: A4B10C25
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -765.78603135
  • Final energy per atom: -9.817769632692308
  • 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.