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  1. Third-Parties
  2. MatprojStructure
  3. mp-1881105

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-1881105
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['La', 'Cr', 'Ni', 'O']
  • Chemical System: Cr-La-Ni-O
  • Density: 5.098157280300577
  • Atomic Density: 0.07995465480598914
  • Unit Cell Volume: 112.56380284348172
  • Molar Volume: 7.531945168937058
  • Full Formula: La1 Cr1 Ni1 O6
  • Reduced Formula: LaCrNiO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -67.20737196
  • Final energy per atom: -7.467485773333333
  • 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.