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  1. Third-Parties
  2. MatprojStructure
  3. mp-756340

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-756340
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ta', 'Cr', 'O']
  • Chemical System: Cr-O-Ta
  • Density: 7.282740498773573
  • Atomic Density: 0.08861882209421129
  • Unit Cell Volume: 135.41141392336175
  • Molar Volume: 6.795554959642569
  • Full Formula: Ta2 Cr2 O8
  • Reduced Formula: TaCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -117.69622886
  • Final energy per atom: -9.808019071666667
  • 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.