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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227501

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-1227501
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Sm', 'O']
  • Chemical System: Ba-O-Sm-Sr
  • Density: 6.892302278375803
  • Atomic Density: 0.06088648792199616
  • Unit Cell Volume: 459.87214824858665
  • Molar Volume: 9.89076717270206
  • Full Formula: Ba2 Sr2 Sm8 O16
  • Reduced Formula: BaSrSm4O8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -224.64512688
  • Final energy per atom: -8.023040245714286
  • 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.