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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222048

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-1222048
  • 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: 10
  • Number of elements: 4
  • Element list: ['Mg', 'Fe', 'C', 'O']
  • Chemical System: C-Fe-Mg-O
  • Density: 3.340623871623207
  • Atomic Density: 0.1005042129057889
  • Unit Cell Volume: 99.49831664642602
  • Molar Volume: 5.991928682278287
  • Full Formula: Mg1 Fe1 C2 O6
  • Reduced Formula: MgFe(CO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -79.41825586
  • Final energy per atom: -7.941825586
  • 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.