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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046817

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-1046817
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Ca', 'Ni', 'Te', 'O']
  • Chemical System: Ca-Ni-O-Te
  • Density: 4.989744286338223
  • Atomic Density: 0.08016128090529004
  • Unit Cell Volume: 748.4910336062313
  • Molar Volume: 7.512530603291026
  • Full Formula: Ca8 Ni10 Te6 O36
  • Reduced Formula: Ca4Ni5(TeO6)3
  • Formula Anonymous: A3B4C5D18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -387.45831982
  • Final energy per atom: -6.457638663666667
  • 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.