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  1. Third-Parties
  2. MatprojStructure
  3. mp-14778

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-14778
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Te', 'O']
  • Chemical System: Ca-O-Te-Zn
  • Density: 4.891115535131166
  • Atomic Density: 0.07714225015618759
  • Unit Cell Volume: 1037.0451968671696
  • Molar Volume: 7.8065401875200084
  • Full Formula: Ca12 Zn12 Te8 O48
  • Reduced Formula: Ca3Zn3(TeO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -487.47863941
  • Final energy per atom: -6.093482992625001
  • 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.