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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211417

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-1211417
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Mg', 'Cu', 'H', 'C', 'O']
  • Chemical System: C-Cu-H-Mg-O
  • Density: 2.4580815788057335
  • Atomic Density: 0.07097098030647667
  • Unit Cell Volume: 450.88851614861727
  • Molar Volume: 8.485356597857832
  • Full Formula: Mg4 Cu4 H4 C2 O18
  • Reduced Formula: Mg2Cu2H2CO9
  • Formula Anonymous: AB2C2D2E9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -190.89526269
  • Final energy per atom: -5.9654769590625
  • 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.