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  1. Third-Parties
  2. MatprojStructure
  3. mp-978503

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-978503
  • 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: 5
  • Number of elements: 3
  • Element list: ['Sm', 'Be', 'O']
  • Chemical System: Be-O-Sm
  • Density: 7.219036705560466
  • Atomic Density: 0.10482223832600045
  • Unit Cell Volume: 47.69980187266984
  • Molar Volume: 5.745098422026587
  • Full Formula: Sm1 Be1 O3
  • Reduced Formula: SmBeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -37.74016331
  • Final energy per atom: -7.548032662
  • 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.