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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223155

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-1223155
  • 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: 10
  • Number of elements: 4
  • Element list: ['La', 'Nb', 'Cr', 'O']
  • Chemical System: Cr-La-Nb-O
  • Density: 6.403607424307154
  • Atomic Density: 0.07434489151234001
  • Unit Cell Volume: 134.50823313583243
  • Molar Volume: 8.10027513322879
  • Full Formula: La2 Nb1 Cr1 O6
  • Reduced Formula: La2NbCrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -90.63751851
  • Final energy per atom: -9.063751851000001
  • 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.