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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099824

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-1099824
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Sr
  • Density: 6.305865226800688
  • Atomic Density: 0.07824764773710954
  • Unit Cell Volume: 511.19747566583646
  • Molar Volume: 7.696257886540855
  • Full Formula: Ba7 Sr1 Cu8 O24
  • Reduced Formula: Ba7Sr(CuO3)8
  • Formula Anonymous: AB7C8D24
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -233.38345523
  • Final energy per atom: -5.83458638075
  • 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.