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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105430

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-1105430
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Mg', 'C', 'O']
  • Chemical System: C-Mg-O
  • Density: 2.059755918495129
  • Atomic Density: 0.07735247701012331
  • Unit Cell Volume: 232.70101612446484
  • Molar Volume: 7.7853237449808725
  • Full Formula: Mg2 C4 O12
  • Reduced Formula: Mg(CO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -120.18085975
  • Final energy per atom: -6.676714430555555
  • 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.