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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228408

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-1228408
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Sr-Y
  • Density: 5.884612607256904
  • Atomic Density: 0.07147073417582583
  • Unit Cell Volume: 503.70267515982215
  • Molar Volume: 8.426023363891678
  • Full Formula: Ba3 Sr1 Y8 Cu4 O20
  • Reduced Formula: Ba3SrY8(CuO5)4
  • Formula Anonymous: AB3C4D8E20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -284.56267672
  • Final energy per atom: -7.904518797777778
  • 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.