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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209101

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-1209101
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Zn', 'C', 'O']
  • Chemical System: C-O-Zn
  • Density: 2.0424798151940853
  • Atomic Density: 0.06794088848408042
  • Unit Cell Volume: 1648.4918360501467
  • Molar Volume: 8.863794534290022
  • Full Formula: Zn8 C40 O64
  • Reduced Formula: ZnC5O8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -742.58707635
  • Final energy per atom: -6.6302417531249995
  • 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.