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  1. Third-Parties
  2. MatprojStructure
  3. mp-1001608

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-1001608
  • 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: 84
  • Number of elements: 2
  • Element list: ['C', 'O']
  • Chemical System: C-O
  • Density: 1.7516818305552737
  • Atomic Density: 0.07688604020979223
  • Unit Cell Volume: 1092.5260264515707
  • Molar Volume: 7.832554184827194
  • Full Formula: C48 O36
  • Reduced Formula: C4O3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -558.27182339
  • Final energy per atom: -6.646093135595239
  • 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.