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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247720

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-1247720
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Mn', 'Cr', 'O']
  • Chemical System: Ca-Cr-Mn-O-Sr
  • Density: 4.442056528751948
  • Atomic Density: 0.09001556085553741
  • Unit Cell Volume: 444.36761399725646
  • Molar Volume: 6.690110801692062
  • Full Formula: Sr1 Ca7 Mn7 Cr1 O24
  • Reduced Formula: SrCa7Mn7CrO24
  • Formula Anonymous: ABC7D7E24
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -305.03075622
  • Final energy per atom: -7.6257689055
  • 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.