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  1. Third-Parties
  2. MatprojStructure
  3. mp-772548

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-772548
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Sm', 'Cu', 'O']
  • Chemical System: Cu-O-Sm
  • Density: 7.685406908840517
  • Atomic Density: 0.08835788471301406
  • Unit Cell Volume: 113.17609099040732
  • Molar Volume: 6.815623506108007
  • Full Formula: Sm2 Cu2 O6
  • Reduced Formula: SmCuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -71.10961194
  • Final energy per atom: -7.110961194
  • 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.