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  1. Third-Parties
  2. MatprojStructure
  3. mp-1077316

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-1077316
  • 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: 6
  • Number of elements: 2
  • Element list: ['C', 'O']
  • Chemical System: C-O
  • Density: 3.108850246760382
  • Atomic Density: 0.127621993848294
  • Unit Cell Volume: 47.01384000576171
  • Molar Volume: 4.718732703046937
  • Full Formula: C2 O4
  • Reduced Formula: CO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -46.16846275
  • Final energy per atom: -7.694743791666667
  • 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.