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  1. Third-Parties
  2. MatprojStructure
  3. mp-1442990

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-1442990
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'O']
  • Chemical System: Ca-Mn-O
  • Density: 3.6798921960385242
  • Atomic Density: 0.07428363102996549
  • Unit Cell Volume: 175.00490780742655
  • Molar Volume: 8.106955296208811
  • Full Formula: Ca1 Mn4 O8
  • Reduced Formula: CaMn4O8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -106.01856358
  • Final energy per atom: -8.155274121538461
  • 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.