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  1. Third-Parties
  2. MatprojStructure
  3. mp-546079

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-546079
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Mg', 'C', 'O']
  • Chemical System: C-Mg-O
  • Density: 3.084978942928656
  • Atomic Density: 0.11017268470781566
  • Unit Cell Volume: 90.76659996550487
  • Molar Volume: 5.466092412988814
  • Full Formula: Mg2 C2 O6
  • Reduced Formula: MgCO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -72.05036177
  • Final energy per atom: -7.205036176999999
  • 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.