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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218081

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-1218081
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Sr', 'Sm', 'Be', 'O']
  • Chemical System: Be-O-Sm-Sr
  • Density: 7.025188741133071
  • Atomic Density: 0.07976552462461695
  • Unit Cell Volume: 451.32280103990956
  • Molar Volume: 7.549803989055026
  • Full Formula: Sr4 Sm8 Be4 O20
  • Reduced Formula: SrSm2BeO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -284.2803627
  • Final energy per atom: -7.896676741666667
  • 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.