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  1. Third-Parties
  2. MatprojStructure
  3. mp-1516385

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-1516385
  • 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: 10
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Sm', 'Se', 'O']
  • Chemical System: Ba-O-Se-Sm-Sr
  • Density: 6.064350085184889
  • Atomic Density: 0.06636888777905645
  • Unit Cell Volume: 150.67300861346706
  • Molar Volume: 9.073740666029911
  • Full Formula: Ba1 Sr1 Sm1 Se1 O6
  • Reduced Formula: BaSrSmSeO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -67.61473216
  • Final energy per atom: -6.761473216000001
  • 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.