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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227034

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-1227034
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Ca', 'Zn', 'Co', 'Si', 'O']
  • Chemical System: Ca-Co-O-Si-Zn
  • Density: 3.2563875700375884
  • Atomic Density: 0.07579056907934621
  • Unit Cell Volume: 1266.648359632928
  • Molar Volume: 7.94576532826312
  • Full Formula: Ca16 Zn4 Co4 Si16 O56
  • Reduced Formula: Ca4ZnCo(Si2O7)2
  • Formula Anonymous: ABC4D4E14
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -728.25967731
  • Final energy per atom: -7.5860383053125
  • 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.