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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218492

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-1218492
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Sc', 'O']
  • Chemical System: Ca-O-Sc-Sr
  • Density: 4.01120830007655
  • Atomic Density: 0.08058361217775369
  • Unit Cell Volume: 260.59889141824004
  • Molar Volume: 7.4731581239076075
  • Full Formula: Sr1 Ca2 Sc6 O12
  • Reduced Formula: SrCa2Sc6O12
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -181.62615898
  • Final energy per atom: -8.648864713333333
  • 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.