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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048901

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-1048901
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Cr', 'Ni', 'O']
  • Chemical System: Ca-Cr-La-Ni-O
  • Density: 5.5155455186942905
  • Atomic Density: 0.08612400692656187
  • Unit Cell Volume: 232.22328725431973
  • Molar Volume: 6.992406617977136
  • Full Formula: Ca2 La2 Cr2 Ni2 O12
  • Reduced Formula: CaLaCrNiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -155.02550224
  • Final energy per atom: -7.751275112
  • 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.