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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227024

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-1227024
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ca', 'Sc', 'Co', 'O']
  • Chemical System: Ca-Co-O-Sc
  • Density: 4.061429092959235
  • Atomic Density: 0.08224908974504858
  • Unit Cell Volume: 267.48016383153237
  • Molar Volume: 7.321832714097041
  • Full Formula: Ca6 Sc1 Co3 O12
  • Reduced Formula: Ca6Sc(CoO4)3
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -158.22559682
  • Final energy per atom: -7.192072582727272
  • 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.