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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044950

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-1044950
  • 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: 20
  • Number of elements: 5
  • Element list: ['La', 'Ti', 'Zn', 'Cr', 'O']
  • Chemical System: Cr-La-O-Ti-Zn
  • Density: 5.755666167344334
  • Atomic Density: 0.08661590817437613
  • Unit Cell Volume: 230.90446572165212
  • Molar Volume: 6.952695973441921
  • Full Formula: La2 Ti2 Zn2 Cr2 O12
  • Reduced Formula: LaTiZnCrO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -165.55765196
  • Final energy per atom: -8.277882598
  • 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.